8IG9
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
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 | 2022-09-29 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.446, 99.225, 59.558 |
Unit cell angles | 90.00, 108.45, 90.00 |
Refinement procedure
Resolution | 46.550 - 1.680 |
R-factor | 0.216662337138 |
Rwork | 0.215 |
R-free | 0.24722 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.887 |
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] | 56.500 | 1.770 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.064 | 0.906 |
Number of reflections | 60444 | 9778 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 86.3 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.12~0.21M PEG3350,20%~24%Na2SO4 |