7MB9
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979356 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.222, 97.893, 67.506 |
Unit cell angles | 90.00, 102.48, 90.00 |
Refinement procedure
Resolution | 29.690 - 1.810 |
R-factor | 0.1998 |
Rwork | 0.199 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7l0d |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.690 | 1.880 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.035 | 0.327 |
Number of reflections | 61128 | 5401 |
<I/σ(I)> | 10.1 | 1.4 |
Completeness [%] | 98.1 | |
Redundancy | 2 | |
CC(1/2) | 0.998 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 13% PEG 3350, 0.1M Bis-Tris-Methane:HCl pH 5.5, 0.2M NaCl |