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76 hits found for Graewert

SASDBS2 – Recombinant Tn antigen-binding lectin from Vatairea macrocarpa

Recombinant Tn antigen-binding lectin experimental SAS data
CORAL model
Sample: Recombinant Tn antigen-binding lectin tetramer, 105 kDa Vatairea macrocarpa protein
Buffer: 100 mM sodium phosphate 150 mM NaCl 5% (v/v) glycerol, pH: 5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2014 Jan 11
Structural characterization of a Vatairea macrocarpa lectin in complex with a tumor-associated antigen: A new tool for cancer research. Int J Biochem Cell Biol 72:27-39 (2016)
...Graewert MA, Pereira RI, Cunha RMS, Nascimento KS, Bezerra GA, Delatorre P, Djinovic-Carugo K, Nagano CS, Gruber K, Cavada BS
RgGuinier 3.2 nm
Dmax 9.5 nm
VolumePorod 168 nm3

SASDBJ3 – Bovine serum albumin, monomer from SEC-SAXS

Bovine serum albumin, monomer experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Bovine serum albumin, monomer monomer, 66 kDa Bos taurus protein
Buffer: 25 mM Tris 150 mM NaCl 3% (v/v) glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2014 Jan 23
Preparing monodisperse macromolecular samples for successful biological small-angle X-ray and neutron-scattering experiments. Nat Protoc 11(11):2122-2153 (2016)
...Graewert MA, Blanchet CE, Langley DB, Whitten AE, Svergun DI
RgGuinier 2.8 nm
Dmax 8.2 nm
VolumePorod 100 nm3

SASDBK3 – Bovine serum albumin, dimer from SEC-SAXS

Bovine serum albumin, dimer experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Bovine serum albumin, dimer dimer, 133 kDa Bos taurus protein
Buffer: 25 mM Tris 150 mM NaCl 3% (v/v) glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2014 Jan 23
Preparing monodisperse macromolecular samples for successful biological small-angle X-ray and neutron-scattering experiments. Nat Protoc 11(11):2122-2153 (2016)
...Graewert MA, Blanchet CE, Langley DB, Whitten AE, Svergun DI
RgGuinier 3.9 nm
Dmax 12.7 nm
VolumePorod 202 nm3

SASDF24 – Full-length X-chromosome linked inhibitor of apoptosis protein (XIAP)

E3 ubiquitin-protein ligase XIAP experimental SAS data
HADDOCK model
Sample: E3 ubiquitin-protein ligase XIAP dimer, 113 kDa Homo sapiens protein
Buffer: Xiap buffer, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 Sep 15
Conformational characterization of full-length X-chromosome-linked inhibitor of apoptosis protein (XIAP) through an integrated approach. IUCrJ 6(Pt 5):948-957 (2019)
...Graewert MA, Svergun DI, Banci L
RgGuinier 3.9 nm
Dmax 12.8 nm
VolumePorod 207 nm3

SASDF94 – Insulin glulisine (Apidra), oligomeric composition

Insulin glulisine experimental SAS data
CUSTOM IN-HOUSE model
Sample: Insulin glulisine hexamer, 35 kDa protein
Buffer: Apidra formulation (per ml: 5 mg Sodium chloride, 3.15 mg m-Cresol, 6 mg Trometamol, 0.01 mg Polysorbate 20), pH: 7.3
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 Apr 20
The quaternary structure of insulin glargine and glulisine under formulation conditions. Biophys Chem 253:106226 (2019)
...Graewert MA, Gao M, Heyse W, Jeffries CM, Svergun D, Berchtold H
RgGuinier 2.3 nm
Dmax 7.6 nm

SASDFA4 – Insulin glargine (Toujeo®), oligomeric composition

Insulin glargine (Toujeo®) experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Insulin glargine (Toujeo®) hexamer, 36 kDa protein
Buffer: Toujeo Fromulation (190 ug Zinc chloride, 2.7 mg m-Cresol, 20 mg glycerol 85%), pH: 4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Jul 5
The quaternary structure of insulin glargine and glulisine under formulation conditions. Biophys Chem 253:106226 (2019)
...Graewert MA, Gao M, Heyse W, Jeffries CM, Svergun D, Berchtold H
RgGuinier 1.8 nm
Dmax 6.2 nm

SASDFB4 – Insulin glargine (Lantus ®), oligomeric mixture

Insulin glargine (Lantus ®) experimental SAS data
Insulin glargine (Lantus ®) Kratky plot
Sample: Insulin glargine (Lantus ®) hexamer, 36 kDa protein
Buffer: Lantus Formulation (30 µg Zinc cloride, 2.7 mg m-Cresol, 20 mg glycerol 85%), pH: 4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 May 23
The quaternary structure of insulin glargine and glulisine under formulation conditions. Biophys Chem 253:106226 (2019)
...Graewert MA, Gao M, Heyse W, Jeffries CM, Svergun D, Berchtold H
RgGuinier 1.8 nm
Dmax 5.3 nm

SASDJF4 – Synthetic nanobody Sybody 23 (Sy23)

Synthetic nanobody Sybody 23 experimental SAS data
CORAL model
Sample: Synthetic nanobody Sybody 23 monomer, 16 kDa synthetic construct protein
Buffer: 50 mM Tris 100 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 May 5
Selection, biophysical and structural analysis of synthetic nanobodies that effectively neutralize SARS-CoV-2 Nature Communications 11(1) (2020)
...Graewert M, Svergun D, Dobrev N, Remans K, Seeger M, McInerney G, Murrell B, Hällberg B, Löw C
RgGuinier 2.1 nm
Dmax 8.0 nm
VolumePorod 22 nm3

SASDJG4 – SARS-CoV-2 spike protein ACE2 receptor binding domain (RBD)

Spike glycoprotein (ACE2 receptor binding domain) experimental SAS data
SASREF model
Sample: Spike glycoprotein (ACE2 receptor binding domain) monomer, 29 kDa Severe acute respiratory … protein
Buffer: 25 mM Tris 100 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 May 1
Selection, biophysical and structural analysis of synthetic nanobodies that effectively neutralize SARS-CoV-2 Nature Communications 11(1) (2020)
...Graewert M, Svergun D, Dobrev N, Remans K, Seeger M, McInerney G, Murrell B, Hällberg B, Löw C
RgGuinier 3.0 nm
Dmax 13.1 nm
VolumePorod 64 nm3

SASDJH4 – SARS-CoV-2 spike protein ACE2 receptor binding domain (RBD) bound to the synthetic nanobody Sybody 23 (Sy23)

Synthetic nanobody Sybody 23Spike glycoprotein (ACE2 receptor binding domain) experimental SAS data
CORAL model
Sample: Synthetic nanobody Sybody 23 monomer, 16 kDa synthetic construct protein
Spike glycoprotein (ACE2 receptor binding domain) monomer, 29 kDa Severe acute respiratory … protein
Buffer: 25 mM Tris 100 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 May 10
Selection, biophysical and structural analysis of synthetic nanobodies that effectively neutralize SARS-CoV-2 Nature Communications 11(1) (2020)
...Graewert M, Svergun D, Dobrev N, Remans K, Seeger M, McInerney G, Murrell B, Hällberg B, Löw C
RgGuinier 3.5 nm
Dmax 15.1 nm
VolumePorod 87 nm3

SASDPP4 – Consensus SAXS Profile - Ribonuclease A

Ribonuclease pancreatic experimental SAS data
DAMMIN model
Sample: Ribonuclease pancreatic monomer, 14 kDa Bos taurus protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.5 nm
Dmax 4.9 nm
VolumePorod 18 nm3

SASDPQ4 – Consensus SAXS Profile - Urate Oxidase

Uricase experimental SAS data
DAMMIN model
Sample: Uricase tetramer, 136 kDa Aspergillus flavus protein
Buffer: 100 mM Tris, 150 mM NaCl, pH: 8
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 3.2 nm
Dmax 9.2 nm
VolumePorod 220 nm3

SASDPR4 – Consensus SAXS Profile - Xylose Isomerase

Xylose isomerase experimental SAS data
DAMMIN model
Sample: Xylose isomerase tetramer, 173 kDa Streptomyces rubiginosus protein
Buffer: ConsensusBuffer_50 mM Tris, 100 mM NaCl, 1 mM MgCl2, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 3.3 nm
Dmax 10.1 nm
VolumePorod 243 nm3

SASDPS4 – Consensus SAXS Profile - Xylanase

Endo-1,4-beta-xylanase experimental SAS data
DAMMIN model
Sample: Endo-1,4-beta-xylanase monomer, 21 kDa Trichoderma longibrachiatum protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.6 nm
Dmax 5.1 nm
VolumePorod 27 nm3

SASDPT4 – Consensus SAXS Profile - Lysozyme

Lysozyme C experimental SAS data
DAMMIN model
Sample: Lysozyme C monomer, 14 kDa Gallus gallus protein
Buffer: 50 mM sodium citrate, 150 mM NaCl, pH: 4.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.5 nm
Dmax 4.8 nm
VolumePorod 19 nm3

SASDPU4 – Consensus SANS Profile - Ribonuclease A in 100% v/v D2O buffer

Ribonuclease pancreatic experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Ribonuclease pancreatic monomer, 14 kDa Bos taurus protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.4 nm
Dmax 4.4 nm

SASDPV4 – Consensus SANS Profile - Lysozyme in 100% v/v D2O buffer

Lysozyme C experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Lysozyme C monomer, 14 kDa Gallus gallus protein
Buffer: 50 mM sodium citrate, 150 mM NaCl, pH: 4.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.2 nm
Dmax 3.8 nm

SASDPW4 – Consensus SANS Profile - Xylanase in 100% v/v D2O buffer

Endo-1,4-beta-xylanase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Endo-1,4-beta-xylanase monomer, 21 kDa Trichoderma longibrachiatum protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.5 nm
Dmax 4.4 nm

SASDPX4 – Consensus SANS Profile - Urate oxidase in 100% v/v D2O buffer

Uricase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Uricase tetramer, 136 kDa Aspergillus flavus protein
Buffer: 100 mM Tris, 150 mM NaCl, pH: 8
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 3.1 nm
Dmax 9.3 nm

SASDPY4 – Consensus SANS Profile - Xylose isomerase in 100% v/v D2O buffer

Xylose isomerase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Xylose isomerase tetramer, 173 kDa Streptomyces rubiginosus protein
Buffer: 50 mM Tris, 100 mM NaCl, 1 mM MgCl2, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 6
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 3.1 nm
Dmax 9.5 nm

SASDMZ4 – Mixture of estrogen-related receptor gamma:Inverse repeat IR3 DNA - 6:3 and 2:1 complexes - at 2.9 mg/ml

Estrogen-related receptor gammaInverse repeat IR3 DNA experimental SAS data
SASREF MX model
Sample: Estrogen-related receptor gamma hexamer, 230 kDa Homo sapiens protein
Inverse repeat IR3 DNA trimer, 46 kDa DNA
Buffer: 20 mM Tris-HCl, 100 mM NaCl, 100 mM KCl, 5 mM MgCl2, 1% (v/v) glycerol, and 1 mM CHAPS, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III, DESY on 2009 Mar 3
Reconstruction of Quaternary Structure from X-ray Scattering by Equilibrium Mixtures of Biological Macromolecules Biochemistry 52(39):6844-6855 (2013)
...Graewert M, Moras D, Svergun D
RgGuinier 4.7 nm
Dmax 14.6 nm

SASDPZ4 – Consensus SANS Profile - Lysozyme in H2O buffer

Lysozyme C experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Lysozyme C monomer, 14 kDa Gallus gallus protein
Buffer: 50 mM sodium citrate, 150 mM NaCl, pH: 4.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 22
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.4 nm
Dmax 4.8 nm

SASDM25 – Mixture of estrogen-related receptor gamma:Inverse repeat IR3 DNA - 6:3 and 2:1 complexes - at 1.9 mg/ml

Estrogen-related receptor gammaInverse repeat IR3 DNA experimental SAS data
SASREF MX model
Sample: Estrogen-related receptor gamma hexamer, 230 kDa Homo sapiens protein
Inverse repeat IR3 DNA trimer, 46 kDa DNA
Buffer: 20 mM Tris-HCl, 100 mM NaCl, 100 mM KCl, 5 mM MgCl2, 1% (v/v) glycerol, and 1 mM CHAPS, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III, DESY on 2009 Mar 3
Reconstruction of Quaternary Structure from X-ray Scattering by Equilibrium Mixtures of Biological Macromolecules Biochemistry 52(39):6844-6855 (2013)
...Graewert M, Moras D, Svergun D
RgGuinier 4.3 nm
Dmax 13.2 nm

SASDP25 – Consensus SANS Profile - Ribonuclease A in H2O buffer

Ribonuclease pancreatic experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Ribonuclease pancreatic monomer, 14 kDa Bos taurus protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 22
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.5 nm
Dmax 4.1 nm

SASDR25 – Periplasmic domain of cholera toxin transcriptional activator ToxR

Cholera toxin transcriptional activator experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Cholera toxin transcriptional activator monomer, 12 kDa Vibrio cholerae serotype … protein
Buffer: 50 mM Na2HPO4, 300 mM NaCl, 3% glycerol, pH: 8
Experiment: SAXS data collected at EMBL P12, PETRA III on 2022 Mar 6
Vibrio cholerae's ToxRS bile sensing system. Elife 12 (2023)
Gubensäk N, Sagmeister T, Buhlheller C, Geronimo BD, Wagner GE, Petrowitsch L, Gräwert MA, Rotzinger M, Berger TMI, Schäfer J, Usón I, Reidl J, Sánchez-Murcia PA, Zangger K, Pavkov-Keller T
RgGuinier 1.6 nm
Dmax 6.0 nm
VolumePorod 16 nm3

SASDM35 – Mixture of estrogen-related receptor gamma:Inverse repeat IR3 DNA - 6:3 and 2:1 complexes - at 1.0 mg/ml

Estrogen-related receptor gammaInverse repeat IR3 DNA experimental SAS data
SASREF MX model
Sample: Estrogen-related receptor gamma hexamer, 230 kDa Homo sapiens protein
Inverse repeat IR3 DNA trimer, 46 kDa DNA
Buffer: 20 mM Tris-HCl, 100 mM NaCl, 100 mM KCl, 5 mM MgCl2, 1% (v/v) glycerol, and 1 mM CHAPS, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III, DESY on 2009 Mar 3
Reconstruction of Quaternary Structure from X-ray Scattering by Equilibrium Mixtures of Biological Macromolecules Biochemistry 52(39):6844-6855 (2013)
...Graewert M, Moras D, Svergun D
RgGuinier 4.1 nm
Dmax 12.8 nm

SASDP35 – Consensus SANS Profile - Xylanase in H2O buffer

Endo-1,4-beta-xylanase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Endo-1,4-beta-xylanase monomer, 21 kDa Trichoderma longibrachiatum protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 22
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 1.6 nm
Dmax 4.3 nm

SASDR35 – Periplasmic domain of cholera transmembrane regulatory protein ToxS

Transmembrane regulatory protein ToxS experimental SAS data
ALPHAFOLD model
Sample: Transmembrane regulatory protein ToxS dimer, 37 kDa Vibrio cholerae serotype … protein
Buffer: 50 mM Na2HPO4, 300 mM NaCl, 3% glycerol, pH: 8
Experiment: SAXS data collected at EMBL P12, PETRA III on 2022 Mar 6
Vibrio cholerae's ToxRS bile sensing system. Elife 12 (2023)
Gubensäk N, Sagmeister T, Buhlheller C, Geronimo BD, Wagner GE, Petrowitsch L, Gräwert MA, Rotzinger M, Berger TMI, Schäfer J, Usón I, Reidl J, Sánchez-Murcia PA, Zangger K, Pavkov-Keller T
RgGuinier 2.3 nm
Dmax 7.4 nm
VolumePorod 55 nm3

SASDF45 – Leukocidin/Integrin alpha-M complex (LukGH-huCD11b-I) in the presence of a neutralizing antibody Fab fragment

Leukocidin GLeukocidin HLukGH neutralizing antibodyIntegrin alpha-M experimental SAS data
PYMOL model
Sample: Leukocidin G monomer, 36 kDa Staphylococcus aureus protein
Leukocidin H monomer, 38 kDa Staphylococcus aureus protein
LukGH neutralizing antibody monomer, 47 kDa Homo sapiens protein
Integrin alpha-M monomer, 22 kDa Homo sapiens protein
Buffer: 20 mM Hepes, 300 mM NaCl, 1 mM MgCl2, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 Sep 17
Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity. Proc Natl Acad Sci U S A (2019)
...Graewert MA, Rouha H, Svergun D, Djinović-Carugo K, Nagy E, Badarau A
RgGuinier 5.0 nm
Dmax 18.0 nm
VolumePorod 178 nm3

SASDP45 – Consensus SANS Profile - Urate oxidase in H2O buffer

Uricase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Uricase tetramer, 136 kDa Aspergillus flavus protein
Buffer: 100 mM Tris, 150 mM NaCl, pH: 8
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 24
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 3.2 nm
Dmax 9.1 nm

SASDR45 – A complex between the periplasmic domains of cholera toxin transcriptional activator ToxR and transmembrane regulatory protein ToxS

Cholera toxin transcriptional activatorTransmembrane regulatory protein ToxS experimental SAS data
CUSTOM IN-HOUSE model
Sample: Cholera toxin transcriptional activator monomer, 12 kDa Vibrio cholerae serotype … protein
Transmembrane regulatory protein ToxS dimer, 37 kDa Vibrio cholerae serotype … protein
Buffer: 50 mM Na2HPO4, 300 mM NaCl, 3% glycerol, pH: 8
Experiment: SAXS data collected at EMBL P12, PETRA III on 2022 Mar 6
Vibrio cholerae's ToxRS bile sensing system. Elife 12 (2023)
Gubensäk N, Sagmeister T, Buhlheller C, Geronimo BD, Wagner GE, Petrowitsch L, Gräwert MA, Rotzinger M, Berger TMI, Schäfer J, Usón I, Reidl J, Sánchez-Murcia PA, Zangger K, Pavkov-Keller T
RgGuinier 2.1 nm
Dmax 6.6 nm
VolumePorod 51 nm3

SASDF55 – Leukocidin (LukGH) from Staphylococcus aureus in complex with a neutralizing antibody

Leukocidin GLeukocidin HLukGH neutralizing antibody experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Leukocidin G monomer, 36 kDa Staphylococcus aureus protein
Leukocidin H monomer, 38 kDa Staphylococcus aureus protein
LukGH neutralizing antibody monomer, 47 kDa Homo sapiens protein
Buffer: 20 mM Hepes, 300 mM NaCl, 1 mM MgCl2, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 Sep 17
Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity. Proc Natl Acad Sci U S A (2019)
...Graewert MA, Rouha H, Svergun D, Djinović-Carugo K, Nagy E, Badarau A
RgGuinier 4.7 nm
Dmax 16.0 nm
VolumePorod 152 nm3

SASDP55 – Consensus SANS Profile - Xylose isomerase in H2O buffer

Xylose isomerase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Xylose isomerase tetramer, 173 kDa Streptomyces rubiginosus protein
Buffer: 50 mM Tris, 100 mM NaCl, 1 mM MgCl2, pH: 7.5
Experiment: SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 24
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
...Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco...
RgGuinier 3.3 nm
Dmax 9.7 nm

SASDR55 – A complex between the periplasmic domains of cholera toxin transcriptional activator ToxR and transmembrane regulatory protein ToxS bound to bile salt

Cholera toxin transcriptional activatorTransmembrane regulatory protein ToxSbile acid: sodium cholate hydrate experimental SAS data
CUSTOM IN-HOUSE model
Sample: Cholera toxin transcriptional activator monomer, 12 kDa Vibrio cholerae serotype … protein
Transmembrane regulatory protein ToxS dimer, 37 kDa Vibrio cholerae serotype … protein
bile acid: sodium cholate hydrate monomer, 0 kDa
Buffer: 50 mM Na2HPO4, 300 mM NaCl, 3% glycerol, pH: 8
Experiment: SAXS data collected at EMBL P12, PETRA III on 2022 Jul 7
Vibrio cholerae's ToxRS bile sensing system. Elife 12 (2023)
Gubensäk N, Sagmeister T, Buhlheller C, Geronimo BD, Wagner GE, Petrowitsch L, Gräwert MA, Rotzinger M, Berger TMI, Schäfer J, Usón I, Reidl J, Sánchez-Murcia PA, Zangger K, Pavkov-Keller T
RgGuinier 2.4 nm
Dmax 6.6 nm
VolumePorod 60 nm3

SASDJJ5 – Histone H2A:H2B:H3:H4 complex with aprataxin and polynucleotide kinase like factor (APLF) acidic domain

Aprataxin and PNK-like factor (acidic domain)Histone H2AHistone H2BHistone H3Histone H4 experimental SAS data
DAMMIF model
Sample: Aprataxin and PNK-like factor (acidic domain) dimer, 15 kDa Homo sapiens protein
Histone H2A dimer, 26 kDa Drosophila melanogaster protein
Histone H2B dimer, 27 kDa Drosophila melanogaster protein
Histone H3 dimer, 30 kDa Drosophila melanogaster protein
Histone H4 dimer, 23 kDa Drosophila melanogaster protein
Buffer: 25 mM NaPi, 300 mM NaCl, 3% v/v glycerol, 1 mM DTT,, pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2018 Jul 10
Chaperoning of the histone octamer by the acidic domain of DNA repair factor APLF. Sci Adv 8(30):eabo0517 (2022)
...Graewert MA, Vreeken K, Wienk H, Svergun DI, Heck AJR, van Attikum H, Boelens R, Sixma TK, Mattiroli F, van Ingen H
RgGuinier 3.7 nm
Dmax 10.8 nm
VolumePorod 260 nm3

SASDRN5 – Nucleolar RNA Chaperone-Like Protein 1 (NURC1)

AT5g04600/T32M21_200 experimental SAS data
GASBOR model
Sample: AT5g04600/T32M21_200 monomer, 25 kDa Arabidopsis thaliana protein
Buffer: 50 mM HNa2PO4, 300 mM NaCl, 5% glycerol (v/v), 1 mM DTT, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Jun 22
Structural and functional analysis of a plant nucleolar RNA chaperone-like protein. Sci Rep 13(1):9656 (2023)
...Graewert MA, Weingartner M, Kehr J, Hoth S
RgGuinier 3.5 nm
Dmax 12.4 nm
VolumePorod 66 nm3

SASDJA6 – Complement C5

Complement C5 experimental SAS data
CUSTOM IN-HOUSE model
Sample: Complement C5 monomer, 186 kDa Homo sapiens protein
Buffer: 20mM Tris pH, 75mM NaCl, and 3% glycerol, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Sep 12
The allosteric modulation of Complement C5 by knob domain peptides. Elife 10 (2021)
...Graewert MA, Birtley JR, Schulze ME, Crennell S, Robinson SA, Holmes B, Oleinikovas V, Nilsson PH, Snowden J, Ellis V, Mollnes TE, Deane CM, Svergun D, Lawson AD, van den Elsen JM
RgGuinier 4.8 nm
Dmax 17.6 nm
VolumePorod 392 nm3

SASDA97 – PlaB

PlaB experimental SAS data
DAMMIN model
Sample: PlaB tetramer, 220 kDa Legionella pneumophila protein
Buffer: 100 mM Tris 100 mM Nacl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Nov 15
Automated pipeline for purification, biophysical and x-ray analysis of biomacromolecular solutions. Sci Rep 5:10734 (2015)
Graewert MA, Franke D, Jeffries CM, Blanchet CE, Ruskule D, Kuhle K, Flieger A, Schäfer B, Tartsch B, Meijers R, Svergun DI
RgGuinier 4.0 nm
Dmax 10.5 nm
VolumePorod 270 nm3

SASDG97 – Trypanosoma brucei Membrane Occupation and Recognition Nexus MORN1 repeats 2-15

Trypanosoma brucei Membrane Occupation and Recognition Nexus MORN repeats 2-15 experimental SAS data
DAMMIF model
Sample: Trypanosoma brucei Membrane Occupation and Recognition Nexus MORN repeats 2-15 dimer, 78 kDa Trypanosoma brucei protein
Buffer: 20 mM Tris-HCl, 100 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2017 Jan 27
Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. PLoS One 15(12):e0242677 (2020)
...Graewert M, Setiawan K, Trübestein L, Niedermüller K, Gehin C, Sponga A, Puchinger M, Gavin AC, Leonard TA, Svergun DI, Smith TK, Morriswood B, Djinovic-Carugo K
RgGuinier 6.5 nm
Dmax 26.0 nm
VolumePorod 187 nm3

SASDGA7 – Trypanosoma brucei Membrane Occupation and Recognition Nexus MORN1 repeats 7-15

Trypanosoma brucei Membrane Occupation and Recognition Nexus MORN (7-15) experimental SAS data
CUSTOM IN-HOUSE model
Sample: Trypanosoma brucei Membrane Occupation and Recognition Nexus MORN (7-15) dimer, 52 kDa Trypanosoma brucei protein
Buffer: 20 mM Tris-HCl, 200 mM NaCl, 2% (w/v) glycerol, 0.5 mM DTT, pH: 8.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2016 Jun 11
Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. PLoS One 15(12):e0242677 (2020)
...Graewert M, Setiawan K, Trübestein L, Niedermüller K, Gehin C, Sponga A, Puchinger M, Gavin AC, Leonard TA, Svergun DI, Smith TK, Morriswood B, Djinovic-Carugo K
RgGuinier 4.1 nm
Dmax 15.5 nm
VolumePorod 56 nm3

SASDGB7 – Toxoplasma gondii Membrane Occupation and Recognition Nexus (MORN1) repeats 7-15

Toxoplasma gondii Membrane Occupation and Recognition Nexus (MORN1) repeats 7-15 experimental SAS data
DAMMIF model
Sample: Toxoplasma gondii Membrane Occupation and Recognition Nexus (MORN1) repeats 7-15 dimer, 49 kDa Toxoplasma gondii protein
Buffer: 20 mM Tris-HCl, 100 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2016 Jun 10
Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. PLoS One 15(12):e0242677 (2020)
...Graewert M, Setiawan K, Trübestein L, Niedermüller K, Gehin C, Sponga A, Puchinger M, Gavin AC, Leonard TA, Svergun DI, Smith TK, Morriswood B, Djinovic-Carugo K
RgGuinier 4.0 nm
Dmax 17.0 nm
VolumePorod 55 nm3

SASDGC7 – Plasmodium falciparum Membrane Occupation and Recognition Nexus (MORN1) repeats 7-15

MORN repeat-containing protein 1 experimental SAS data
DAMMIN model
Sample: MORN repeat-containing protein 1 dimer, 46 kDa Plasmodium falciparum protein
Buffer: 20 mM Tris-HCl, 100 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 Dec 2
Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. PLoS One 15(12):e0242677 (2020)
...Graewert M, Setiawan K, Trübestein L, Niedermüller K, Gehin C, Sponga A, Puchinger M, Gavin AC, Leonard TA, Svergun DI, Smith TK, Morriswood B, Djinovic-Carugo K
RgGuinier 3.8 nm
Dmax 16.0 nm
VolumePorod 52 nm3

SASDPF7 – Ribonuclease A SEC-SAXS data (EMBL-P12 bioSAXS beam line at DESY)

Ribonuclease pancreatic experimental SAS data
Ribonuclease pancreatic Kratky plot
Sample: Ribonuclease pancreatic monomer, 14 kDa Bos taurus protein
Buffer: 50 mM HEPES, 150 mM KCl, 3% glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Sep 16
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 1.5 nm
Dmax 4.6 nm
VolumePorod 16 nm3

SASDPG7 – Ribonuclease A SEC-WAXS data (EMBL-P12 bioSAXS beam line at DESY)

Ribonuclease pancreatic experimental SAS data
Ribonuclease pancreatic Kratky plot
Sample: Ribonuclease pancreatic monomer, 14 kDa Bos taurus protein
Buffer: 50 mM Tris, 100 mM NaCl, 1% v/v glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Jul 8
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 1.5 nm
Dmax 4.8 nm
VolumePorod 16 nm3

SASDPH7 – Urate Oxidase SEC-SAXS data (EMBL-P12 bioSAXS beam line at DESY)

Urate Oxidase (Uricase) from Aspergillus flavus experimental SAS data
Urate Oxidase (Uricase) from Aspergillus flavus Kratky plot
Sample: Urate Oxidase (Uricase) from Aspergillus flavus tetramer, 137 kDa Aspergillus flavus protein
Buffer: 100 mM Tris, 150 mM NaCl, 1 % v/v glycerol, pH: 8
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Sep 15
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 3.2 nm
Dmax 8.8 nm
VolumePorod 221 nm3

SASDSH7 – Cationic liposomes containing DOTMA:DOPE (2:1) with negatively charged messenger RNA (mRNA) (raito 0.65:1)

mRNA -- proprietary sequence(R)-N,N,N-trimethyl-2-3-dioleyloxy-1-propanaminium chloride1,2-dioleoyl-sn-glycero-3-phosphoethanolamine experimental SAS data
OTHER [STATIC IMAGE] model
Sample: mRNA -- proprietary sequence , 400 kDa RNA
(R)-N,N,N-trimethyl-2-3-dioleyloxy-1-propanaminium chloride , 1 kDa lipid
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine , 1 kDa lipid
Buffer: 10 mM HEPES, 5 mM NaCl, 0.1 mM EDTA, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2022 Jun 9
Quantitative size-resolved characterization of mRNA nanoparticles by in-line coupling of asymmetrical-flow field-flow fractionation with small angle X-ray scattering. Sci Rep 13(1):15764 (2023)
Graewert MA, Wilhelmy C, Bacic T, Schumacher J, Blanchet C, Meier F, Drexel R, Welz R, Kolb B, Bartels K, Nawroth T, Klein T, Svergun D, Langguth P, Haas H

SASDPJ7 – Urate Oxidase SEC-WAXS data (EMBL-P12 bioSAXS beam line at DESY)

Urate Oxidase (Uricase) from Aspergillus flavus experimental SAS data
Urate Oxidase (Uricase) from Aspergillus flavus Kratky plot
Sample: Urate Oxidase (Uricase) from Aspergillus flavus tetramer, 137 kDa Aspergillus flavus protein
Buffer: 100 mM Tris, 150 mM NaCl, 1 % v/v glycerol, pH: 8
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Jul 8
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 3.2 nm
Dmax 9.0 nm
VolumePorod 214 nm3

SASDPK7 – Xylose isomerase SEC-SAXS data (EMBL-P12 bioSAXS beam line at DESY)

Xylose isomerase experimental SAS data
Xylose isomerase Kratky plot
Sample: Xylose isomerase tetramer, 173 kDa Streptomyces rubiginosus protein
Buffer: 50 mM Tris, 100 mM NaCl, 1 mM MgCl2, 1 % v/v glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Sep 15
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 3.2 nm
Dmax 14.1 nm
VolumePorod 228 nm3

SASDPL7 – Xylose isomerase SEC-WAXS data (EMBL-P12 bioSAXS beam line at DESY)

Xylose isomerase experimental SAS data
Xylose isomerase Kratky plot
Sample: Xylose isomerase tetramer, 173 kDa Streptomyces rubiginosus protein
Buffer: 50 mM Tris, 100 mM NaCl, 1 mM MgCl2, 1 % v/v glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Jul 8
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 3.3 nm
Dmax 14.1 nm
VolumePorod 233 nm3

SASDPM7 – Xylanase SEC-SAXS data (EMBL-P12 bioSAXS beam line at DESY)

Endo-1,4-beta-xylanase experimental SAS data
Endo-1,4-beta-xylanase Kratky plot
Sample: Endo-1,4-beta-xylanase monomer, 21 kDa Trichoderma longibrachiatum protein
Buffer: 50 mM HEPES, 150 mM KCl, 3% glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Sep 16
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 1.6 nm
Dmax 4.8 nm
VolumePorod 25 nm3

SASDPN7 – Xylanase SEC-WAXS data (EMBL-P12 bioSAXS beam line at DESY)

Endo-1,4-beta-xylanase experimental SAS data
Endo-1,4-beta-xylanase Kratky plot
Sample: Endo-1,4-beta-xylanase monomer, 21 kDa Trichoderma longibrachiatum protein
Buffer: 50 mM Tris, 100 mM NaCl, 1% v/v glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Jul 8
Small-Angle X-ray Scattering data (benchmarking/consensus): EMBL-P12 SAXS beam line, DESY
Clement Blanchet, Melissa Graewert, Cy M Jeffries, Dmitri Svergun
RgGuinier 1.6 nm
Dmax 4.5 nm
VolumePorod 24 nm3

SASDFZ7 – Full-length myotilin with N-terminally fused thioredoxin tag

his-trx-myotilin experimental SAS data
Full-length myotilin with N-terminally fused thioredoxin tag Rg histogram
Sample: his-trx-myotilin monomer, 70 kDa Homo sapiens protein
Buffer: 20 mM Tris, 400 mM NaCl, 250 mM arginine, 5% v/v glycerol, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2016 Jun 11
Molecular basis of F-actin regulation and sarcomere assembly via myotilin PLOS Biology 19(4):e3001148 (2021)
...Graewert M, Schreiner C, Sajko S, van der Ven P, Onipe A, Svergun D, Warscheid B, Konrat R, Fürst D, Lenarčič B, Djinović-Carugo K, Machesky L
RgGuinier 5.1 nm
Dmax 16.7 nm
VolumePorod 131 nm3

SASDA28 – anti-TG2 antibody (679 14 E06)

anti-TG2 antibody (679 14 E06) experimental SAS data
CRYSOL model
Sample: anti-TG2 antibody (679 14 E06) monomer, 48 kDa protein
Buffer: 20 mM Tris 150mM NaCl 1mM EDTA, pH: 7.2
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jan 17
Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease. J Biol Chem 290(35):21365-75 (2015)
...Graewert MA, Andersen JT, Iversen R, Tuukkanen A, Svergun D, Sollid LM
RgGuinier 2.5 nm
Dmax 8.1 nm
VolumePorod 58 nm3

SASDF28 – Myotilin immunoglobulin domains Ig1Ig2 (220-452)

Myotilin Ig1Ig2 (220-452) experimental SAS data
Myotilin Ig1Ig2 (220-452) Kratky plot
Sample: Myotilin Ig1Ig2 (220-452) monomer, 27 kDa Homo sapiens protein
Buffer: 20 mM Na+-HEPES, 150 mM, NaCl, 5 % v/v glycerol, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2010 Nov 16
Molecular basis of F-actin regulation and sarcomere assembly via myotilin PLOS Biology 19(4):e3001148 (2021)
...Graewert M, Schreiner C, Sajko S, van der Ven P, Onipe A, Svergun D, Warscheid B, Konrat R, Fürst D, Lenarčič B, Djinović-Carugo K, Machesky L
RgGuinier 3.7 nm
Dmax 15.1 nm
VolumePorod 52 nm3

SASDA38 – transglutaminase-2 (TGA2)

transglutaminase 2 experimental SAS data
CRYSOL model
Sample: transglutaminase 2 monomer, 79 kDa Homo sapiens protein
Buffer: 20 mM Tris 150mM NaCl 1mM EDTA, pH: 7.2
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jan 17
Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease. J Biol Chem 290(35):21365-75 (2015)
...Graewert MA, Andersen JT, Iversen R, Tuukkanen A, Svergun D, Sollid LM
RgGuinier 3.4 nm
Dmax 12.0 nm
VolumePorod 117 nm3

SASDF38 – Myotilin immunoglobulin domains Ig1Ig2 (250-444)

Myotilin Ig1Ig2 (250-444) experimental SAS data
Myotilin Ig1Ig2 (250-444) Kratky plot
Sample: Myotilin Ig1Ig2 (250-444) monomer, 22 kDa Homo sapiens protein
Buffer: 20 mM Na+-HEPES, 150 mM, NaCl, 5 % v/v glycerol, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2019 Jun 27
Molecular basis of F-actin regulation and sarcomere assembly via myotilin PLOS Biology 19(4):e3001148 (2021)
...Graewert M, Schreiner C, Sajko S, van der Ven P, Onipe A, Svergun D, Warscheid B, Konrat R, Fürst D, Lenarčič B, Djinović-Carugo K, Machesky L
RgGuinier 2.8 nm
Dmax 10.1 nm
VolumePorod 29 nm3

SASDA48 – transglutaminase2:anti-transglutaminase2 FAB1 antibody complex

anti-TG2 antibody (679 14 E06) transglutaminase 2 experimental SAS data
DAMMIN model
Sample: anti-TG2 antibody (679 14 E06) monomer, 48 kDa protein
transglutaminase 2 monomer, 79 kDa Homo sapiens protein
Buffer: 20 mM Tris 150mM NaCl 1mM EDTA, pH: 7.2
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jan 17
Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease. J Biol Chem 290(35):21365-75 (2015)
...Graewert MA, Andersen JT, Iversen R, Tuukkanen A, Svergun D, Sollid LM
RgGuinier 4.0 nm
Dmax 13.9 nm
VolumePorod 168 nm3

SASDF48 – Myotilin immunoglobulin domains Ig1Ig2 (250-498)

Myotilin Ig1Ig2 (250-498) experimental SAS data
Myotilin Ig1Ig2 (250-498) Kratky plot
Sample: Myotilin Ig1Ig2 (250-498) monomer, 28 kDa Homo sapiens protein
Buffer: 20 mM Na+-HEPES, 150 mM, NaCl, 5 % v/v glycerol, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2019 Jun 27
Molecular basis of F-actin regulation and sarcomere assembly via myotilin PLOS Biology 19(4):e3001148 (2021)
...Graewert M, Schreiner C, Sajko S, van der Ven P, Onipe A, Svergun D, Warscheid B, Konrat R, Fürst D, Lenarčič B, Djinović-Carugo K, Machesky L
RgGuinier 3.2 nm
Dmax 14.0 nm
VolumePorod 37 nm3

SASDJH8 – Myotilin immunoglobulin domains Ig1Ig2 (220-452, wild-type) concentration series data

Myotilin (222-452) experimental SAS data
Myotilin (222-452) Kratky plot
Sample: Myotilin (222-452) monomer, 26 kDa Homo sapiens protein
Buffer: 20 mM HEPES, 150 mM NaCl, 5 % glycerol, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Jul 6
Molecular basis of F-actin regulation and sarcomere assembly via myotilin PLOS Biology 19(4):e3001148 (2021)
...Graewert M, Schreiner C, Sajko S, van der Ven P, Onipe A, Svergun D, Warscheid B, Konrat R, Fürst D, Lenarčič B, Djinović-Carugo K, Machesky L
RgGuinier 3.3 nm
Dmax 11.5 nm
VolumePorod 36 nm3

SASDJJ8 – Myotilin immunoglobulin domains Ig1Ig2 (220-452, R405K mutant) concentration series data

Myotilin (222-452) R405K experimental SAS data
Myotilin (222-452) R405K Kratky plot
Sample: Myotilin (222-452) R405K monomer, 26 kDa Homo sapiens protein
Buffer: 20 mM HEPES, 150 mM NaCl, 5 % glycerol, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Jul 12
Molecular basis of F-actin regulation and sarcomere assembly via myotilin PLOS Biology 19(4):e3001148 (2021)
...Graewert M, Schreiner C, Sajko S, van der Ven P, Onipe A, Svergun D, Warscheid B, Konrat R, Fürst D, Lenarčič B, Djinović-Carugo K, Machesky L
RgGuinier 3.3 nm
Dmax 10.5 nm
VolumePorod 36 nm3

SASDRQ8 – Bovine serum albumin monomer separated using asymmetric flow field flow fractionation (AFFFF)

Albumin experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Albumin monomer, 66 kDa Bos taurus protein
Buffer: 10 mM HEPES, 5 mM NaCl, 0.1 mM EDTA, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2022 Jun 8
Quantitative size-resolved characterization of mRNA nanoparticles by in-line coupling of asymmetrical-flow field-flow fractionation with small angle X-ray scattering. Sci Rep 13(1):15764 (2023)
Graewert MA, Wilhelmy C, Bacic T, Schumacher J, Blanchet C, Meier F, Drexel R, Welz R, Kolb B, Bartels K, Nawroth T, Klein T, Svergun D, Langguth P, Haas H
RgGuinier 2.9 nm
Dmax 9.0 nm
VolumePorod 104 nm3

SASDQX8 – Bovine serum albumin (oligomeric mixtures) - reservoir sample storage with liquid jet delivery measured using XFEL

Albumin experimental SAS data
Albumin Kratky plot
Sample: Albumin monomer, 66 kDa Bos taurus protein
Buffer: phosphate buffered saline, pH: 7.4
Experiment: SANS data collected at SPB/SFX, European XFEL on 2021 May 14
Form factor determination of biological molecules with X-ray free electron laser small-angle scattering (XFEL-SAS). Commun Biol 6(1):1057 (2023)
...Graewert M, Awel S, Franke D, Dörner K, Bajt S, Bean R, Custódio TF, de Wijn R, Juncheng E, Henkel A, Gruzinov A, Jeffries CM, Kim Y, Kirkwood H, Kloos M, Knoška J, Koliyadu J, Letrun R, Löw C, Makroc...
RgGuinier 3.1 nm

SASDQY8 – Bovine serum albumin (oligomeric mixtures) - direct liquid jet autosampler delivery measured using XFEL

Albumin experimental SAS data
Albumin Kratky plot
Sample: Albumin monomer, 66 kDa Bos taurus protein
Buffer: phosphate buffered saline, pH: 7.4
Experiment: SANS data collected at SPB/SFX, European XFEL on 2021 May 15
Form factor determination of biological molecules with X-ray free electron laser small-angle scattering (XFEL-SAS). Commun Biol 6(1):1057 (2023)
...Graewert M, Awel S, Franke D, Dörner K, Bajt S, Bean R, Custódio TF, de Wijn R, Juncheng E, Henkel A, Gruzinov A, Jeffries CM, Kim Y, Kirkwood H, Kloos M, Knoška J, Koliyadu J, Letrun R, Löw C, Makroc...
RgGuinier 2.7 nm

SASDQZ8 – Apoferritin (oligomeric mixtures) - reservoir sample storage with liquid jet delivery measured using XFEL

Ferritin light chain experimental SAS data
Ferritin light chain Kratky plot
Sample: Ferritin light chain 24-mer, 479 kDa Equus caballus protein
Buffer: phosphate buffered saline, pH: 7.4
Experiment: SANS data collected at SPB/SFX, European XFEL on 2021 May 14
Form factor determination of biological molecules with X-ray free electron laser small-angle scattering (XFEL-SAS). Commun Biol 6(1):1057 (2023)
...Graewert M, Awel S, Franke D, Dörner K, Bajt S, Bean R, Custódio TF, de Wijn R, Juncheng E, Henkel A, Gruzinov A, Jeffries CM, Kim Y, Kirkwood H, Kloos M, Knoška J, Koliyadu J, Letrun R, Löw C, Makroc...
RgGuinier 5.8 nm

SASDQ29 – Thyroglobulin - reservoir sample storage with liquid jet delivery measured using XFEL

Thyroglobulin experimental SAS data
Thyroglobulin Kratky plot
Sample: Thyroglobulin monomer, 303 kDa Bos taurus protein
Buffer: phosphate buffered saline, pH: 7.4
Experiment: SANS data collected at SPB/SFX, European XFEL on 2021 May 14
Form factor determination of biological molecules with X-ray free electron laser small-angle scattering (XFEL-SAS). Commun Biol 6(1):1057 (2023)
...Graewert M, Awel S, Franke D, Dörner K, Bajt S, Bean R, Custódio TF, de Wijn R, Juncheng E, Henkel A, Gruzinov A, Jeffries CM, Kim Y, Kirkwood H, Kloos M, Knoška J, Koliyadu J, Letrun R, Löw C, Makroc...
RgGuinier 7.0 nm

SASDQ39 – SARS-CoV-2 spike protein ACE2 receptor binding domain (RBD) - reservoir sample storage with liquid jet delivery measured using XFEL

Spike glycoprotein (ACE2 receptor binding domain) experimental SAS data
Spike glycoprotein (ACE2 receptor binding domain) Kratky plot
Sample: Spike glycoprotein (ACE2 receptor binding domain) monomer, 29 kDa Severe acute respiratory … protein
Buffer: phosphate buffered saline, pH: 7.4
Experiment: SANS data collected at SPB/SFX, European XFEL on 2021 May 14
Form factor determination of biological molecules with X-ray free electron laser small-angle scattering (XFEL-SAS). Commun Biol 6(1):1057 (2023)
...Graewert M, Awel S, Franke D, Dörner K, Bajt S, Bean R, Custódio TF, de Wijn R, Juncheng E, Henkel A, Gruzinov A, Jeffries CM, Kim Y, Kirkwood H, Kloos M, Knoška J, Koliyadu J, Letrun R, Löw C, Makroc...
RgGuinier 3.0 nm

SASDKV9 – Transcription factors USF1 and NF-Y bound to a CCAAT DNA box(48bp)

Upstream stimulatory factor 1Nuclear transcription factor Y subunit alphaNuclear transcription factor Y subunit betaNuclear transcription factor Y subunit gammaDNA 48bp experimental SAS data
CORAL model
Sample: Upstream stimulatory factor 1 dimer, 50 kDa Homo sapiens protein
Nuclear transcription factor Y subunit alpha monomer, 10 kDa Homo sapiens protein
Nuclear transcription factor Y subunit beta monomer, 11 kDa Homo sapiens protein
Nuclear transcription factor Y subunit gamma monomer, 11 kDa Homo sapiens protein
DNA 48bp monomer, 30 kDa DNA
Buffer: 100 mM cacodylate buffer, pH: 6.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jun 14
The USR domain of USF1 mediates NF-Y interactions and cooperative DNA binding International Journal of Biological Macromolecules (2021)
...Graewert M, Valentini E, Svergun D, Nardini M, Mantovani R, Gnesutta N
RgGuinier 4.8 nm
Dmax 17.0 nm
VolumePorod 155 nm3

SASDKW9 – Transcription factors USF1 and NF-Y bound to a CCAAT DNA box(50bp)

Upstream stimulatory factor 1Nuclear transcription factor Y subunit alphaNuclear transcription factor Y subunit betaNuclear transcription factor Y subunit gammaDNA 50bp experimental SAS data
DAMMIN model
Sample: Upstream stimulatory factor 1 dimer, 50 kDa Homo sapiens protein
Nuclear transcription factor Y subunit alpha monomer, 10 kDa Homo sapiens protein
Nuclear transcription factor Y subunit beta monomer, 11 kDa Homo sapiens protein
Nuclear transcription factor Y subunit gamma monomer, 11 kDa Homo sapiens protein
DNA 50bp monomer, 31 kDa DNA
Buffer: 100 mM cacodylate buffer, pH: 6.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jun 14
The USR domain of USF1 mediates NF-Y interactions and cooperative DNA binding International Journal of Biological Macromolecules (2021)
...Graewert M, Valentini E, Svergun D, Nardini M, Mantovani R, Gnesutta N
RgGuinier 4.8 nm
Dmax 17.0 nm
VolumePorod 165 nm3

SASDEX9 – Class II pyruvate aldolase (HpcH/HpaI aldolase), wild-type hexamer in HEPES isolated using SEC-SAXS

HpcH/HpaI aldolase experimental SAS data
GASBOR model
Sample: HpcH/HpaI aldolase hexamer, 165 kDa Rhizorhabdus wittichii RW1 protein
Buffer: 20 mM HEPES,, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2018 Nov 23
EFAMIX , a tool to decompose inline chromatography SAXS data from partially overlapping components Protein Science (2021)
...Graewert M, Jeffries C, Fukuda M, Cheremnykh T, Volkov V, Svergun D
RgGuinier 3.3 nm
Dmax 9.4 nm
VolumePorod 233 nm3

SASDKX9 – Transcription factors MAX and NF-Y bound to a CCAAT DNA box(48bp)

Protein max (Isoform 2, short, 13-21: missing)Nuclear transcription factor Y subunit alphaNuclear transcription factor Y subunit betaNuclear transcription factor Y subunit gammaDNA 48bp experimental SAS data
DAMMIN model
Sample: Protein max (Isoform 2, short, 13-21: missing) dimer, 39 kDa Homo sapiens protein
Nuclear transcription factor Y subunit alpha monomer, 10 kDa Homo sapiens protein
Nuclear transcription factor Y subunit beta monomer, 11 kDa Homo sapiens protein
Nuclear transcription factor Y subunit gamma monomer, 11 kDa Homo sapiens protein
DNA 48bp monomer, 30 kDa DNA
Buffer: 100 mM cacodylate buffer, pH: 6.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2012 Dec 10
The USR domain of USF1 mediates NF-Y interactions and cooperative DNA binding International Journal of Biological Macromolecules (2021)
...Graewert M, Valentini E, Svergun D, Nardini M, Mantovani R, Gnesutta N
RgGuinier 5.2 nm
Dmax 17.0 nm
VolumePorod 151 nm3

SASDFP8 – Carbonic anhydrase 2 from bovine erythrocytes - SEC-SAXS coupled to multiangle laser and quasi-elastic light scattering (MALLS and QELS)

Carbonic anhydrase 2 experimental SAS data
DAMMIN model
Sample: Carbonic anhydrase 2 monomer, 29 kDa Bos taurus protein
Buffer: 50 mM HEPES, 150 mM NaCl, 2% v/v glycerol, pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Apr 5
Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data Crystals 10(11):975 (2020)
Graewert M, Da Vela S, Gräwert T, Molodenskiy D, Blanchet C, Svergun D, Jeffries C
RgGuinier 1.8 nm
Dmax 5.1 nm
VolumePorod 37 nm3

SASDFQ8 – Bovine serum albumin, purified monomer - SEC-SAXS coupled to multiangle laser and quasi-elastic light scattering (MALLS and QELS)

Bovine serum albumin experimental SAS data
GASBOR model
Sample: Bovine serum albumin monomer, 66 kDa Bos taurus protein
Buffer: 50 mM HEPES, 150 mM NaCl, 2% v/v glycerol, pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Apr 5
Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data Crystals 10(11):975 (2020)
Graewert M, Da Vela S, Gräwert T, Molodenskiy D, Blanchet C, Svergun D, Jeffries C
RgGuinier 2.8 nm
Dmax 8.0 nm
VolumePorod 98 nm3

SASDFR8 – Bovine serum albumin, purified dimer - SEC-SAXS coupled to multiangle laser and quasi-elastic light scattering (MALLS and QELS)

Bovine serum albumin experimental SAS data
GASBOR model
Sample: Bovine serum albumin dimer, 133 kDa Bos taurus protein
Buffer: 50 mM HEPES, 150 mM NaCl, 2% v/v glycerol, pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Apr 5
Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data Crystals 10(11):975 (2020)
Graewert M, Da Vela S, Gräwert T, Molodenskiy D, Blanchet C, Svergun D, Jeffries C
RgGuinier 4.0 nm
Dmax 13.2 nm
VolumePorod 211 nm3

SASDFS8 – Yeast alcohol dehydrogenase 1 - SEC-SAXS coupled to multiangle laser and quasi-elastic light scattering (MALLS and QELS)

Alcohol dehydrogenase 1 experimental SAS data
DAMMIN model
Sample: Alcohol dehydrogenase 1 tetramer, 147 kDa Saccharomyces cerevisiae protein
Buffer: 50 mM HEPES, 150 mM NaCl, 2% v/v glycerol, pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Apr 5
Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data Crystals 10(11):975 (2020)
Graewert M, Da Vela S, Gräwert T, Molodenskiy D, Blanchet C, Svergun D, Jeffries C
RgGuinier 3.3 nm
Dmax 9.3 nm
VolumePorod 201 nm3

SASDFN8 – Apoferritin from horse spleen - SEC-SAXS coupled to multiangle laser and quasi-elastic light scattering (MALLS and QELS)

Apoferritin light chain experimental SAS data
DAMMIN model
Sample: Apoferritin light chain 24-mer, 479 kDa Equus caballus protein
Buffer: 50 mM HEPES, 150 mM NaCl, 2% v/v glycerol, pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Apr 5
Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data Crystals 10(11):975 (2020)
Graewert M, Da Vela S, Gräwert T, Molodenskiy D, Blanchet C, Svergun D, Jeffries C
RgGuinier 5.4 nm
Dmax 12.5 nm
VolumePorod 679 nm3

SASDF99 – Bovine serum albumin monomer - SEC-SAXS/WAXS coupled to multiangle laser and quasi-elastic light scattering (MALLS and QELS)

Bovine serum albumin experimental SAS data
GASBOR model
Sample: Bovine serum albumin monomer, 66 kDa Bos taurus protein
Buffer: 50 mM HEPES, 3% v/v glycerol,, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 Apr 23
Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data Crystals 10(11):975 (2020)
Graewert M, Da Vela S, Gräwert T, Molodenskiy D, Blanchet C, Svergun D, Jeffries C
RgGuinier 2.8 nm
Dmax 8.3 nm
VolumePorod 95 nm3