Benchmarking predictive methods for small-angle X-ray scattering from atomic coordinates of proteins using maximum likelihood consensus data

Trewhella J, Vachette P, Larsen A
IUCrJ 11(5) (2024 Jul 10)

doi: 10.1107/S205225252400486X 		Submitted to SASBDB: 2024 Feb 26
Published in SASBDB:

SASDUA4 – Ribonuclease A Updated Consensus SAXS Data

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 2024 Feb 4
RgGuinier 1.5 nm
Dmax 5.0 nm

SASDUB4 – Urate Oxidase Updated Consensus SAXS Data

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 2024 Feb 4
RgGuinier 3.2 nm
Dmax 9.3 nm

SASDUC4 – Xylose Isomerase Updated Consensus SAXS Data

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 2024 Feb 4
RgGuinier 3.3 nm
Dmax 10.1 nm

SASDUD4 – Xylanase Updated Consensus SAXS Data

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 2024 Feb 4
RgGuinier 1.6 nm
Dmax 5.2 nm

SASDUE4 – Lysozyme Updated Consensus SAXS Data

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 2024 Feb 4
RgGuinier 1.5 nm
Dmax 4.7 nm