7WQI
Crystal structure of SARS coronavirus main protease in complex with PF07304814
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 1 |
Unit cell lengths | 55.429, 60.560, 68.398 |
Unit cell angles | 91.13, 102.61, 108.44 |
Refinement procedure
Resolution | 28.968 - 1.930 |
R-factor | 0.215184409792 |
Rwork | 0.214 |
R-free | 0.23983 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7dqz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.005 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.180 | 2.030 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.042 | 0.433 |
Number of reflections | 210621 | 29523 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 96.4 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Hepes pH7.5, 10% PEG8000, 8% Ethylene glycol |