8J38
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-03 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.464, 99.303, 59.245 |
Unit cell angles | 90.00, 108.41, 90.00 |
Refinement procedure
Resolution | 56.210 - 1.720 |
R-factor | 0.21228220138 |
Rwork | 0.211 |
R-free | 0.24053 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.891 |
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] | 56.210 | 1.810 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.051 | 0.614 |
Number of reflections | 57473 | 9454 |
<I/σ(I)> | 21.1 | |
Completeness [%] | 88.5 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M BICINE pH 8.5, 20% w/v Polyethylene glycol 10,000 |