Browse by MODEL: Ab initio only

SASDXR8 – Repeats-in-toxin domain Block V of Bifunctional hemolysin/adenylate cyclase, 10 mM MgCl2

Repeats-in-toxin domain Block V of adenylate cyclase toxin experimental SAS data
Sample: Repeats-in-toxin domain Block V of adenylate cyclase toxin monomer, 19 kDa Bordetella pertussis protein
Buffer: 50 mM Tris, 5 mM DTT, 10 mM MgCl2, pH: 7.5
Experiment: SAXS data collected at BL4-2, Stanford Synchrotron Radiation Lightsource (SSRL) on 2024 Aug 1
Ion-selective conformational stabilization of a disordered repeats-in-toxin protein domain. Biophys J (2025)
Gudinas AP, Shambharkar GM, Chang MP, Fernández D, Matsui T, Mai DJ
RgGuinier 3.8 nm
Dmax 16.3 nm
VolumePorod 61 nm3

SASDXS8 – Repeats-in-toxin domain Block V of Bifunctional hemolysin/adenylate cyclase, 1 mM SrCl2

Repeats-in-toxin domain Block V of adenylate cyclase toxin experimental SAS data
Sample: Repeats-in-toxin domain Block V of adenylate cyclase toxin monomer, 19 kDa Bordetella pertussis protein
Buffer: 50 mM Tris, 5 mM DTT, 1 mM SrCl2, pH: 7.5
Experiment: SAXS data collected at BL4-2, Stanford Synchrotron Radiation Lightsource (SSRL) on 2024 Jun 28
Ion-selective conformational stabilization of a disordered repeats-in-toxin protein domain. Biophys J (2025)
Gudinas AP, Shambharkar GM, Chang MP, Fernández D, Matsui T, Mai DJ
RgGuinier 3.1 nm
Dmax 13.0 nm
VolumePorod 35 nm3

SASDXV8 – Repeats-in-toxin domain Block Vof Bifunctional hemolysin/adenylate cyclase, 1 mM BaCl2

Repeats-in-toxin domain Block V of adenylate cyclase toxin experimental SAS data
Sample: Repeats-in-toxin domain Block V of adenylate cyclase toxin monomer, 19 kDa Bordetella pertussis protein
Buffer: 50 mM Tris, 5 mM DTT, 1 mM BaCl2, pH: 7.5
Experiment: SAXS data collected at BL4-2, Stanford Synchrotron Radiation Lightsource (SSRL) on 2024 Aug 1
Ion-selective conformational stabilization of a disordered repeats-in-toxin protein domain. Biophys J (2025)
Gudinas AP, Shambharkar GM, Chang MP, Fernández D, Matsui T, Mai DJ
RgGuinier 3.0 nm
Dmax 13.1 nm
VolumePorod 32 nm3

SASDXX8 – Repeats-in-toxin domain Block V of Bifunctional hemolysin/adenylate cyclase, 10 mM BaCl2

Repeats-in-toxin domain Block V of adenylate cyclase toxin experimental SAS data
Sample: Repeats-in-toxin domain Block V of adenylate cyclase toxin monomer, 19 kDa Bordetella pertussis protein
Buffer: 50 mM Tris, 5 mM DTT, 10 mM BaCl2, pH: 7.5
Experiment: SAXS data collected at BL4-2, Stanford Synchrotron Radiation Lightsource (SSRL) on 2024 Aug 1
Ion-selective conformational stabilization of a disordered repeats-in-toxin protein domain. Biophys J (2025)
Gudinas AP, Shambharkar GM, Chang MP, Fernández D, Matsui T, Mai DJ
RgGuinier 2.7 nm
Dmax 11.7 nm
VolumePorod 35 nm3

SASDXZ4 – Hemolysin A Type 1 Secretion System (Hly T1SS)

Alpha-hemolysin translocation ATP-binding protein HlyBHlyA (GFP-Hemolysin with Flag-Tag insertion)Membrane fusion protein (MFP) family protein (R14C; L229V)Outer membrane protein TolC experimental SAS data
DAMMIF model
Sample: Alpha-hemolysin translocation ATP-binding protein HlyB hexamer, 480 kDa Escherichia coli (strain … protein
HlyA (GFP-Hemolysin with Flag-Tag insertion) monomer, 144 kDa Escherichia coli protein
Membrane fusion protein (MFP) family protein (R14C; L229V) hexamer, 327 kDa Escherichia coli (strain … protein
Outer membrane protein TolC trimer, 161 kDa Escherichia coli (strain … protein
Buffer: 50 mM Tris, 150 mM NaCl, 10 mM CaCl2, 0.0063% glyco-diosgenin (GDN), pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2023 Jun 29
Molecular Insights into CLD Domain Dynamics and Toxin Recruitment of the HlyA E. coli T1SS Journal of Molecular Biology :169485 (2025)
Gentile R, Schott-Verdugo S, Khosa S, Günes C, Bonus M, Reiners J, Smits S, Schmitt L, Gohlke H
RgGuinier 11.4 nm
Dmax 46.2 nm
VolumePorod 2837 nm3

SASDVU7 – Ca2+/calmodulin-dependent protein kinase II (CaMKII) holoenzyme with Exon 14 as the linker region

Calcium/calmodulin-dependent protein kinase type II subunit alpha (Δ1-6; Q223K; Δ329-344) experimental SAS data
GASBOR model
Sample: Calcium/calmodulin-dependent protein kinase type II subunit alpha (Δ1-6; Q223K; Δ329-344) dodecamer, 620 kDa Homo sapiens protein
Buffer: 25 mM tris-HCl pH 8.8, 250 mM KCl, 1 mM TCEP, 2% glycerol, pH:
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2023 Apr 17
A domain-swapped CaMKII conformation facilitates linker-mediated allosteric regulation. Nat Commun 16(1):8461 (2025)
Nguyen BV, Özden C, Dong K, Koc OC, Torres-Ocampo AP, Dziedzic N, Flaherty D, Huang J, Sankara S, Abromson NL, Tomchick DR, Fissore RA, Chen J, Garman SC, Stratton MM
RgGuinier 6.8 nm
Dmax 25.7 nm
VolumePorod 1437 nm3

SASDVV7 – Ca2+/calmodulin-dependent protein kinase II (CaMKII) holoenzyme with Exon 18 as the linker region

Calcium/calmodulin-dependent protein kinase type II subunit alpha (Δ1-6; Q223K; Δ 316-329) experimental SAS data
GASBOR model
Sample: Calcium/calmodulin-dependent protein kinase type II subunit alpha (Δ1-6; Q223K; Δ 316-329) dodecamer, 626 kDa Homo sapiens protein
Buffer: 25 mM tris-HCl pH 8.8, 250 mM KCl, 1 mM TCEP, 2% glycerol, pH:
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2023 Apr 17
A domain-swapped CaMKII conformation facilitates linker-mediated allosteric regulation. Nat Commun 16(1):8461 (2025)
Nguyen BV, Özden C, Dong K, Koc OC, Torres-Ocampo AP, Dziedzic N, Flaherty D, Huang J, Sankara S, Abromson NL, Tomchick DR, Fissore RA, Chen J, Garman SC, Stratton MM
RgGuinier 6.0 nm
Dmax 19.0 nm
VolumePorod 1080 nm3

SASDXH7 – GAGE6 60bp dsDNA oligonucleotide

GAGE6 60bp dsDNA oligo experimental SAS data
DAMMIN model
Sample: GAGE6 60bp dsDNA oligo monomer, 37 kDa Homo sapiens DNA
Buffer: 150 mM KCl, 20 mM HEPES, 5% glycerol, 5 mM MgCl2, 1 mM DTT, pH: 7.5
Experiment: SAXS data collected at SAXS/WAXS, Australian Synchrotron on 2023 Mar 14
The 60bp GAGE6 dsDNA oligonucleotide
Heidar Koning
RgGuinier 4.8 nm
Dmax 19.5 nm
VolumePorod 101 nm3

SASDVG9 – Mouse murine Immunoglobulin E (IgE) antibodies

Murine Immunoglobulin E (IgE) antibodies experimental SAS data
DAMMIN model
Sample: Murine Immunoglobulin E (IgE) antibodies monomer, 165 kDa Mus musculus protein
Buffer: 20 mM Tris, 50 mM NaCl, pH: 8.4
Experiment: SAXS data collected at B21, Diamond Light Source on 2024 Oct 3
Allergen-induced structural rearrangements in IgE: insights from SAXS and molecular dynamics. Int J Biol Macromol :147658 (2025)
Gómez-Velasco H, García-Ramírez B, Siliqi D, Graewert MA, Quintero-Martinez A, Ortega E, Rodríguez-Romero A
RgGuinier 5.5 nm
Dmax 19.2 nm
VolumePorod 422 nm3

SASDXC3 – Dengue Virus 2 (DENV2) 5' UTR

DENV2 5' untranslated terminal region experimental SAS data
DAMMIN model
Sample: DENV2 5' untranslated terminal region monomer, 57 kDa RNA
Buffer: 10 mM Bis-Tris, 100 mM NaCl, 5 mM MgCl2, 15 mM KCl, 5% glycerol, pH: 6
Experiment: SAXS data collected at B21, Diamond Light Source on 2023 Sep 10
Structural Dynamics of Dengue Virus UTRs and Their Cyclization. Biophys J (2025)
Robinson ZE, Pereira HS, D'Souza MH, Patel TR
RgGuinier 3.7 nm
Dmax 11.5 nm
VolumePorod 57 nm3