8DRU
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp7-nsp8 (C7) cut site sequence
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.5212 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 166.110, 174.890, 96.330 |
Unit cell angles | 90.00, 106.34, 90.00 |
Refinement procedure
Resolution | 46.220 - 2.310 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.23710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7joy |
RMSD bond length | 0.009 |
RMSD bond angle | 1.236 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.220 | 2.535 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.073 | 0.734 |
Rpim | 0.046 | 0.471 |
Number of reflections | 80942 | 4047 |
<I/σ(I)> | 11.2 | 1.7 |
Completeness [%] | 93.1 | 62.4 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.998 | 0.566 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 0.1M HEPES 10% PEG 6K |