8DS2
Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.996, 107.440, 54.388 |
Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
Resolution | 47.640 - 1.600 |
R-factor | 0.1556 |
Rwork | 0.154 |
R-free | 0.18680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7joy |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.640 | 1.650 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.076 | 0.777 |
Rpim | 0.030 | |
Number of reflections | 84342 | 6807 |
<I/σ(I)> | 17.12 | |
Completeness [%] | 96.9 | 95.1 |
Redundancy | 7.1 | 7 |
CC(1/2) | 0.999 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.8M Succinic Acid (pH 7.0) |