8FWX
Apo crystal structure of beluga whale Gammacoronavirus SW1 Mpro
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-13 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.864, 136.062, 49.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.030 - 2.120 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.23830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.601 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.590 | 2.710 |
High resolution limit [Å] | 1.970 | 2.570 |
Rmerge | 0.135 | 1.028 |
Rmeas | 0.147 | 1.124 |
Rpim | 0.059 | 0.448 |
Total number of observations | 16496 | |
Number of reflections | 32590 | 2667 |
<I/σ(I)> | 11.3 | 2.3 |
Completeness [%] | 99.9 | |
Redundancy | 6.4 | 6.2 |
CC(1/2) | 0.996 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 25% PEG 3350, 0.2M Ammonium Sulfate, 0.1M Bis-Tris pH 5.5 |