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SASDJG6 – The separated apo-linker region peptide

The separated apo-linker region peptide from the plant Cicer arietinum experimental SAS data
The separated apo-linker region peptide Rg histogram
Sample: The separated apo-linker region peptide from the plant Cicer arietinum monomer, 4 kDa Cicer arietinum protein
Buffer: 10 mM Tris, 50 mM NaCl, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Aug 8
Structural Characterization of Plant Metallothionein
Dima Molodenskiy
RgGuinier 1.4 nm
Dmax 6.5 nm
VolumePorod 1 nm3

SASDJH6 – The CxxC-linker-CxxC construct binding 1 Cd(II) ion in a CdCys4 site

A CxxC-linker-CxxC construct binding 1 Cd(II) ion in a CdCys4 site experimental SAS data
The CxxC-linker-CxxC construct binding 1 Cd(II) ion in a CdCys4 site Rg histogram
Sample: A CxxC-linker-CxxC construct binding 1 Cd(II) ion in a CdCys4 site monomer, 5 kDa Cicer arietinum protein
Buffer: 10 mM Tris, 50 mM NaCl, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Aug 8
Structural Characterization of Plant Metallothionein
Dima Molodenskiy
RgGuinier 1.9 nm
Dmax 6.3 nm

SASDMU3 – Overall conformation and interdomain arrangement of Vibrio collagenase VhaC in solution.

Vibrio collagenase VhaC experimental SAS data
CORAL model
Sample: Vibrio collagenase VhaC monomer, 90 kDa Vibrio harveyi protein
Buffer: 10 mM Tris-HCl, 100 mM NaCl, pH: 8
Experiment: SAXS data collected at BL19U2, Shanghai Synchrotron Radiation Facility (SSRF) on 2021 Jan 1
Structure of Vibrio collagenase VhaC provides insight into the mechanism of bacterial collagenolysis. Nat Commun 13(1):566 (2022)
Wang Y, Wang P, Cao HY, Ding HT, Su HN, Liu SC, Liu G, Zhang X, Li CY, Peng M, Li F, Li S, Chen Y, Chen XL, Zhang YZ
RgGuinier 4.3 nm
Dmax 17.6 nm
VolumePorod 148 nm3

SASDN85 – Truncated Kelch13-Wild Type

Kelch protein K13 experimental SAS data
ITASSER model
Sample: Kelch protein K13 hexamer, 396 kDa Plasmodium falciparum (isolate … protein
Buffer: phosphate buffered saline, pH: 7.4
Experiment: SAXS data collected at Anton Paar SAXSpace, CSIR - Institute of Microbial Technology (IMTech) on 2020 Jul 25
Plasmodium falciparum Kelch13 and its artemisinin-resistant mutants assemble as hexamers in solution: a SAXS data driven modeling study. FEBS J (2022)
Goel N, Dhiman K, Kalidas N, Mukhopadhyay A, Ashish F, Bhattacharjee S
RgGuinier 6.4 nm
Dmax 17.0 nm
VolumePorod 1630 nm3

SASDN95 – Truncated Kelch13-R539T mutant

Kelch protein K13 (Truncated Kelch13-R539T, artemisinin-resistant mutation) experimental SAS data
GASBOR model
Sample: Kelch protein K13 (Truncated Kelch13-R539T, artemisinin-resistant mutation) hexamer, 396 kDa Plasmodium falciparum (isolate … protein
Buffer: phosphate buffered saline, pH: 7.4
Experiment: SAXS data collected at Anton Paar SAXSpace, CSIR - Institute of Microbial Technology (IMTech) on 2020 Jul 25
Plasmodium falciparum Kelch13 and its artemisinin-resistant mutants assemble as hexamers in solution: a SAXS data driven modeling study. FEBS J (2022)
Goel N, Dhiman K, Kalidas N, Mukhopadhyay A, Ashish F, Bhattacharjee S
RgGuinier 6.6 nm
Dmax 20.5 nm
VolumePorod 1600 nm3

SASDNA5 – Truncated Kelch13-C580Y mutant

Kelch protein K13 (Truncated Kelch13-C580Y ) experimental SAS data
GASBOR model
Sample: Kelch protein K13 (Truncated Kelch13-C580Y ) hexamer, 397 kDa Plasmodium falciparum (isolate … protein
Buffer: Phosphate Buffer Saline, pH: 7.4
Experiment: SAXS data collected at Anton Paar SAXSpace, CSIR - Institute of Microbial Technology (IMTech) on 2020 Jul 28
Plasmodium falciparum Kelch13 and its artemisinin-resistant mutants assemble as hexamers in solution: a SAXS data driven modeling study. FEBS J (2022)
Goel N, Dhiman K, Kalidas N, Mukhopadhyay A, Ashish F, Bhattacharjee S
RgGuinier 6.4 nm
Dmax 18.4 nm
VolumePorod 1800 nm3

SASDNB5 – Truncated Kelch13-A578S mutant

Kelch protein K13 (Truncated Kelch13-A578S) experimental SAS data
GASBOR model
Sample: Kelch protein K13 (Truncated Kelch13-A578S) hexamer, 396 kDa Plasmodium falciparum (isolate … protein
Buffer: Phosphate Buffer Saline, pH: 7.4
Experiment: SAXS data collected at Anton Paar SAXSpace, CSIR - Institute of Microbial Technology (IMTech) on 2020 Jul 29
Plasmodium falciparum Kelch13 and its artemisinin-resistant mutants assemble as hexamers in solution: a SAXS data driven modeling study. FEBS J (2022)
Goel N, Dhiman K, Kalidas N, Mukhopadhyay A, Ashish F, Bhattacharjee S
RgGuinier 6.1 nm
Dmax 16.8 nm
VolumePorod 1700 nm3

SASDLK9 – Hendra virus W protein in 1 M urea, 5 mM DTT

Protein W experimental SAS data
Hendra virus W protein in 1 M urea, 5 mM DTT Rg histogram
Sample: Protein W monomer, 53 kDa Hendra virus (isolate … protein
Buffer: 20 mM HEPES, 150 mM NaCl, 1 M urea, 5 mM DTT, pH: 7
Experiment: SAXS data collected at SWING, SOLEIL on 2021 Jun 12
Experimental Evidence of Intrinsic Disorder and Amyloid Formation by the Henipavirus W Proteins International Journal of Molecular Sciences 23(2):923 (2022)
Pesce G, Gondelaud F, Ptchelkine D, Nilsson J, Bignon C, Cartalas J, Fourquet P, Longhi S
RgGuinier 7.2 nm
Dmax 24.0 nm
VolumePorod 338 nm3

SASDLL9 – Nipah henipavirus W protein in 1 M urea, 5 mM DTT

Protein W experimental SAS data
Nipah henipavirus W protein in 1 M urea, 5 mM DTT Rg histogram
Sample: Protein W monomer, 53 kDa Nipah henipavirus protein
Buffer: 20 mM HEPES, 150 mM NaCl, 1 M urea, 5 mM DTT, pH: 7
Experiment: SAXS data collected at SWING, SOLEIL on 2021 Jun 12
Experimental Evidence of Intrinsic Disorder and Amyloid Formation by the Henipavirus W Proteins International Journal of Molecular Sciences 23(2):923 (2022)
Pesce G, Gondelaud F, Ptchelkine D, Nilsson J, Bignon C, Cartalas J, Fourquet P, Longhi S
RgGuinier 7.1 nm
Dmax 24.5 nm
VolumePorod 327 nm3

SASDMU7 – Apt31 - ssDNA aptamer specific to the receptor-binding domain of SARS-CoV-2

ssDNA aptamer Apt31 specific to the receptor-binding domain of SARS-CoV-2 experimental SAS data
GROMACS model
Sample: SsDNA aptamer Apt31 specific to the receptor-binding domain of SARS-CoV-2 monomer, 10 kDa Artificially synthesized DNA
Buffer: Tris-HCl, pH: 7.4
Experiment: SAXS data collected at 13A, Taiwan Photon Source, NSRRC on 2020 Dec 18
Structure and Interaction Based Design of Anti‐SARS‐CoV‐2 Aptamers Chemistry – A European Journal (2022)
Mironov V, Shchugoreva I, Artyushenko P, Morozov D, Borbone N, Oliviero G, Zamay T, Moryachkov R, Kolovskaya O, Lukyanenko K, Song Y, Merkuleva I, Zabluda V, Peters G, Koroleva L, Veprintsev D, Glazyrin Y, Volosnikova E, Belenkaya S, Esina T, Isaeva A, Nesmeyanova V, Shanshin D, Berlina A, Komova N, Svetlichnyi V, Silnikov V, Shcherbakov D, Zamay G, Zamay S, Smolyarova T, Tikhonova E, Chen K, Jeng U, Condorelli G, de Franciscis V, Groenhof G, Yang C, Moskovsky A, Fedorov D, Tomilin F, Tan W, Alexeev Y, Berezovski M, Kichkailo A
RgGuinier 1.9 nm
Dmax 6.5 nm
VolumePorod 12 nm3