Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions.

Franke D, Jeffries CM, Svergun DI
Biophys J 114(11):2485-2492 (2018 Jun 5)
PMID: 29874600
doi: 10.1016/j.bpj.2018.04.018
Published in SASBDB:

SASDDJ3 – Candida antarctica lipase B - with guanidine-HCl unfolding series

Lipase B from Pseudozyma antarctica experimental SAS data
Lipase B from Pseudozyma antarctica Kratky plot
Sample: Lipase B from Pseudozyma antarctica, 33 kDa Moesziomyces antarcticus protein
Buffer: 100 mM NaCl, 20 mM Na2HPO4, pH: 6
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Jul 29
RgGuinier 2.4 nm

SASDDK3 – Candida antarctica lipase B - with guanidine-HCl unfolding series, in the presence of dithiothreitol

Lipase B from Pseudozyma antarctica experimental SAS data
Lipase B from Pseudozyma antarctica Kratky plot
Sample: Lipase B from Pseudozyma antarctica, 33 kDa Moesziomyces antarcticus protein
Buffer: 100 mM NaCl, 20 mM Na2HPO4, 10 mM DTT, pH: 6
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Jul 29
RgGuinier 2.4 nm

SASDDL3 – Folded ribonuclease A (RNAse)

Ribonuclease pancreatic experimental SAS data
PDB model
Sample: Ribonuclease pancreatic monomer, 16 kDa Bos taurus protein
Buffer: phosphate buffered saline (PBS), pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Jul 29
RgGuinier 1.6 nm
Dmax 5.6 nm
VolumePorod 16 nm3

SASDDM3 – Carboyxamidomethylated ribonuclease A (unfolded RNAse) - with and without urea

Ribonuclease pancreatic experimental SAS data
Ribonuclease pancreatic Kratky plot
Sample: Ribonuclease pancreatic monomer, 16 kDa Bos taurus protein
Buffer: 10 mM HCl, pH: 1
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Jul 29
RgGuinier 2.3 nm
Dmax 9.0 nm

SASDDN3 – Bovine serum albumin mixture: averaged and individual data frames (subtracted and unsubtracted test sets)

Bovine serum albumin experimental SAS data
Bovine serum albumin Kratky plot
Sample: Bovine serum albumin, 66 kDa Bos taurus protein
Buffer: 50 mM HEPES, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2016 Sep 25
RgGuinier 3.0 nm
Dmax 11.0 nm
VolumePorod 117 nm3