Comment on the Optimal Parameters to Derive Intrinsically Disordered Protein Conformational Ensembles from Small-Angle X-ray Scattering Data Using the Ensemble Optimization Method

Sagar A, Jeffries C, Petoukhov M, Svergun D, Bernadó P
Journal of Chemical Theory and Computation (2021 Mar 16)

doi: 10.1021/acs.jctc.1c00014

Submitted to SASBDB: 2021 Jan 1 Published in SASBDB: 2021 Mar 19

SASDHF8 – Histatin 5 (Histatin 3; His3-(20-43)-peptide) at 4.89 mg/ml in 20 mM Tris 150 mM NaCl pH 7.0, 298 K Sample: Histatin-3, His3-(20-43)-peptide monomer, 3 kDa Homo sapiens protein Buffer: 20 mM Tris, 150 mM NaCl,, pH: 7 Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Mar 13 RgGuinier 1.4 nm Dmax 6.0 nm VolumePorod 3 nm3

SASDHG8 – Histatin 5 (Histatin 3; His3-(20-43)-peptide) at 2.51 mg/ml in 20 mM Tris 150 mM NaCl pH 7.0, 298 K Sample: Histatin-3, His3-(20-43)-peptide monomer, 3 kDa Homo sapiens protein Buffer: 20 mM Tris 150 mM NaCl, pH: 7 Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Mar 13 RgGuinier 1.5 nm Dmax 6.4 nm VolumePorod 3 nm3

SASDHH8 – Histatin 5 (Histatin 3; His3-(20-43)-peptide) at 1.26 mg/ml in 20 mM Tris 150 mM NaCl pH 7.0, 298 K Sample: Histatin-3, His3-(20-43)-peptide monomer, 3 kDa Homo sapiens protein Buffer: 20 mM Tris 150 mM NaCl, pH: 7 Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Mar 13 RgGuinier 1.5 nm Dmax 6.0 nm VolumePorod 3 nm3