7VVP
Crystal structure of SARS-Cov-2 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 EIGER2 X 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.074, 102.273, 103.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.040 - 1.970 |
R-factor | 0.205436056747 |
Rwork | 0.204 |
R-free | 0.24208 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c2y |
RMSD bond length | 0.008 |
RMSD bond angle | 0.890 |
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] | 72.830 | 2.070 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.070 | 0.566 |
Number of reflections | 49032 | 6839 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 93.9 | |
Redundancy | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M HEPES 7.5, 20% PEG 10000 |