8F2E
Crystal Structure of the CoV-Y domain of SARS-CoV-2 Nonstructural Protein 3
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97893, 0.97908, 0.97924 |
Spacegroup name | P 65 |
Unit cell lengths | 109.415, 109.415, 61.226 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.940 - 2.430 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.23200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | MAD-phased seleno-methionine derivative |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.940 | 2.470 |
High resolution limit [Å] | 2.430 | 2.430 |
Number of reflections | 15488 | 773 |
<I/σ(I)> | 31.6 | |
Completeness [%] | 97.5 | |
Redundancy | 19.5 | |
CC(1/2) | 1.000 | 0.922 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20%(w/v) PEG 3350, 0.18M Tri-Ammonium Citrate | |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20%(w/v) PEG 3350, 0.18M Tri-Ammonium Citrate |