7CUU
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-13 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.979150 |
Spacegroup name | P 1 |
Unit cell lengths | 47.281, 54.971, 59.459 |
Unit cell angles | 114.71, 99.87, 90.45 |
Refinement procedure
Resolution | 32.520 - 1.680 |
R-factor | 0.1657 |
Rwork | 0.165 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lu7 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.398 | 1.684 |
High resolution limit [Å] | 1.676 | 1.676 |
Number of reflections | 58768 | 2904 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 95.8 | |
Redundancy | 1.8 | |
CC(1/2) | 0.810 | 0.965 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES pH 7.5, 10% w/v PEG4000, 5% v/v Isopropanol |