7VLO
Crystal structure of SARS coronavirus main protease in complex with PF07321332
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-09-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 55.464, 60.461, 68.137 |
Unit cell angles | 91.92, 102.42, 108.76 |
Refinement procedure
Resolution | 30.079 - 2.023 |
R-factor | 0.204956739489 |
Rwork | 0.204 |
R-free | 0.23436 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7eo8 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.936 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.080 | 2.130 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.026 | 0.243 |
Number of reflections | 50908 | 7508 |
<I/σ(I)> | 9.8 | |
Completeness [%] | 95.7 | |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1M Hepes pH7.5, 10% PEG8000, 8% Ethylene glycol |