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SASDW23 – SEC-SAXS of Trypanosoma cruzi Prolyl Oligopepetidase (TcPOP)

Prolyl endopeptidase experimental SAS data
ALPHAFOLD model
Sample: Prolyl endopeptidase monomer, 78 kDa Trypanosoma cruzi protein
Buffer: 20 mM HEPES, 150 mM NaCl, pH: 7.4
Experiment: SAXS data collected at B21, Diamond Light Source on 2023 Apr 24
Cryo-EM led analysis of open and closed conformations of Chagas vaccine candidate TcPOP. Nat Commun 16(1):7164 (2025)
Batra S, Olmo F, Ragan TJ, Kaplan M, Calvaresi V, Frank AM, Lancey C, Assadipapari M, Ying C, Struwe WB, Hesketh EL, Kelly JM, Barfod L, Campeotto I
RgGuinier 3.0 nm
Dmax 0.0 nm
VolumePorod 142 nm3

SASDW33 – STATIC-SAXS of Trypanosoma cruzi Prolyl Oligopepetidase (TcPOP)

Prolyl endopeptidase experimental SAS data
Prolyl endopeptidase Kratky plot
Sample: Prolyl endopeptidase monomer, 78 kDa Trypanosoma cruzi protein
Buffer: 20 mM HEPES, 150 mM NaCl, pH: 7.4
Experiment: SAXS data collected at B21, Diamond Light Source on 2023 Apr 24
Cryo-EM led analysis of open and closed conformations of Chagas vaccine candidate TcPOP. Nat Commun 16(1):7164 (2025)
Batra S, Olmo F, Ragan TJ, Kaplan M, Calvaresi V, Frank AM, Lancey C, Assadipapari M, Ying C, Struwe WB, Hesketh EL, Kelly JM, Barfod L, Campeotto I
RgGuinier 3.8 nm
Dmax 0.0 nm
VolumePorod 170 nm3

SASDX67 – Non Structural Protein 15 in complex with RNA 9mer

Non structural Protein 15 experimental SAS data
ALPHAFOLD model
Sample: Non structural Protein 15 monomer, 251 kDa Severe acute respiratory … protein
Buffer: 20mM HEPES, 150mM Nacl, pH: 7.5
Experiment: SAXS data collected at Anton Paar SAXSpace, CSIR-Central Drug Research Institute on 2024 Jun 14
Non Structural Protein 15 in Complex with RNA 9mer Oligo of SARS CoV 2
Hira Singh Gariya
RgGuinier 4.7 nm
Dmax 13.8 nm
VolumePorod 356 nm3

SASDSR7 – Gramicidin Synthetase 1 (GrsA) W239S mutant in the apo form without any substrates

Gramicidin S synthase 1 (W239S) experimental SAS data
BILBOMD model
Sample: Gramicidin S synthase 1 (W239S) monomer, 127 kDa Aneurinibacillus migulanus protein
Buffer: 20 mM Tris pH 7.5, 100 mM NaCl, 10 mM MgCl2, 2% glycerol, pH: 7.5
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2023 Mar 14
Resting state of GrsA is a combination of two constitutively inactive isoforms that manifest long-range allosteric effects in presence of aminoacid and ATP
Raktim Roy
RgGuinier 4.1 nm
Dmax 15.0 nm
VolumePorod 187 nm3

SASDSS7 – Gramicidin Synthetase 1 (GrsA) W239S mutant in the apo form in the presence of 4 molar excess of L-Tyrosine

Gramicidin S synthase 1 (W239S) experimental SAS data
Sample: Gramicidin S synthase 1 (W239S) monomer, 126 kDa Brevibacillus brevis protein
Buffer: 20 mM Tris pH 7.5, 100 mM NaCl, 10 mM MgCl2, 2% glycerol, pH: 7.5
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2023 Mar 14
Resting state of GrsA is a combination of two constitutively inactive isoforms that manifest long-range allosteric effects in presence of aminoacid and ATP
Raktim Roy
RgGuinier 4.3 nm
Dmax 15.4 nm
VolumePorod 186 nm3

SASDST7 – Gramicidin Synthetase 1 (GrsA) W239S mutant in the apo form in the presence of 4 molar excess of L-Tyrosine and ATP analog (AMPPCP)

Gramicidin S synthase 1 (W239S) experimental SAS data
Sample: Gramicidin S synthase 1 (W239S) monomer, 126 kDa Brevibacillus brevis protein
Buffer: 20 mM Tris pH 7.5, 100 mM NaCl, 10 mM MgCl2, 2% glycerol, pH: 7.5
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2023 Mar 14
Resting state of GrsA is a combination of two constitutively inactive isoforms that manifest long-range allosteric effects in presence of aminoacid and ATP
Raktim Roy
RgGuinier 4.2 nm
Dmax 16.0 nm
VolumePorod 186 nm3

SASDSU7 – Gramicidin Synthetase 1 (GrsA) W239S mutant in the holo form in the presence of 4 molar excess of L-Tyrosine

Gramicidin S synthase 1 (W239S) experimental SAS data
Sample: Gramicidin S synthase 1 (W239S) monomer, 126 kDa Brevibacillus brevis protein
Buffer: 20 mM Tris pH 7.5, 100 mM NaCl, 10 mM MgCl2, 2% glycerol, pH: 7.5
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2023 Mar 14
Resting state of GrsA is a combination of two constitutively inactive isoforms that manifest long-range allosteric effects in presence of aminoacid and ATP
Raktim Roy
RgGuinier 4.1 nm
Dmax 17.5 nm
VolumePorod 181 nm3

SASDSV7 – Gramicidin Synthetase 1 (GrsA) W239S mutant in the holo form in the presence of 4 molar excess of L-Tyrosine and ATP analog (AMPPCP)

Gramicidin S synthase 1 (W239S) experimental SAS data
Sample: Gramicidin S synthase 1 (W239S) monomer, 126 kDa Brevibacillus brevis protein
Buffer: 20 mM Tris pH 7.5, 100 mM NaCl, 10 mM MgCl2, 2% glycerol, pH: 7.5
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2023 Mar 14
Resting state of GrsA is a combination of two constitutively inactive isoforms that manifest long-range allosteric effects in presence of aminoacid and ATP
Raktim Roy
RgGuinier 4.0 nm
Dmax 14.3 nm
VolumePorod 175 nm3

SASDX45 – IgA protease (ThomasA) 31-1167

IgA protease experimental SAS data
IgA protease Kratky plot
Sample: IgA protease monomer, 127 kDa Thomasclavelia ramosa protein
Buffer: 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 2% v/v glycerol, pH: 7.5
Experiment: SAXS data collected at B21, Diamond Light Source on 2024 Apr 19
Molecular basis of Fab-dependent IgA antibody recognition by gut-bacterial metallopeptidases The EMBO Journal (2025)
Márquez-Moñino M, Martínez Gascueña A, Azzam T, Persson A, Manzanares-Gomez A, Aguillo-Urarte M, Brown T, Montero-Sagarminaga A, Lood R, Naegeli A, Connell S, Sastre D, Sundberg E, Trastoy B
RgGuinier 6.4 nm
Dmax 25.0 nm
VolumePorod 208 nm3

SASDX55 – IgA protease (ThomasA) 31-878

IgA protease experimental SAS data
IgA protease Kratky plot
Sample: IgA protease monomer, 96 kDa Thomasclavelia ramosa protein
Buffer: 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 2% v/v glycerol, pH: 7.5
Experiment: SAXS data collected at B21, Diamond Light Source on 2024 Apr 19
Molecular basis of Fab-dependent IgA antibody recognition by gut-bacterial metallopeptidases The EMBO Journal (2025)
Márquez-Moñino M, Martínez Gascueña A, Azzam T, Persson A, Manzanares-Gomez A, Aguillo-Urarte M, Brown T, Montero-Sagarminaga A, Lood R, Naegeli A, Connell S, Sastre D, Sundberg E, Trastoy B
RgGuinier 3.4 nm
Dmax 10.6 nm
VolumePorod 101 nm3