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) PubMed

SASDDL3 – Folded ribonuclease A (RNAse)

Ribonuclease pancreatic
MWI(0) 17 kDa
MWexpected 16 kDa
VPorod 16 nm3
log I(s) 6.29×102 6.29×101 6.29×100 6.29×10-1
Ribonuclease pancreatic small angle scattering data  s, nm-1
ln I(s)
Ribonuclease pancreatic Guinier plot ln 6.30×102 Rg: 1.6 nm 0 (1.6 nm)-2 s2
Ribonuclease pancreatic Kratky plot 1.104 0 3 sRg
Ribonuclease pancreatic pair distance distribution function Rg: 1.6 nm 0 Dmax: 5.6 nm

Experimental data validation

Fits and models

log I(s)
 s, nm-1
Ribonuclease pancreatic PDB model
Synchrotron SAXS data from solutions of Folded ribonuclease A (RNAse) in phosphate buffered saline (PBS), pH 7 were collected on the EMBL P12 camera at the PETRA III storage ring (Hamburg, Germany) using a Pilatus 2M detector at a sample-detector distance of 3.1 m and at a wavelength of λ = 0.124 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 5.24 mg/ml was measured at 10°C. Two successive 0.050 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.

Ribonuclease pancreatic (RNase)
Mol. type   Protein
Organism   Bos taurus
Olig. state   Monomer
Mon. MW   16.5 kDa
UniProt   P61823
Sequence   FASTA
PDB code   3MZQ