7XB4
Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332
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 | 2022-03-11 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.152, 102.656, 103.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.917 - 2.070 |
R-factor | 0.212352500906 |
Rwork | 0.211 |
R-free | 0.24030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7dqz |
RMSD bond length | 0.008 |
RMSD bond angle | 0.934 |
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 | 2.200 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.037 | 0.861 |
Number of reflections | 42254 | 42172 |
<I/σ(I)> | 15.7 | |
Completeness [%] | 94.4 | |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M HEPES 7.5, 20% PEG 10000 |