7VK5
Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE MFX |
Synchrotron site | SLAC LCLS |
Beamline | MFX |
Temperature [K] | 294 |
Detector technology | PIXEL |
Collection date | 2020-08-16 |
Detector | SLAC ePix10k 2M |
Wavelength(s) | 1.25 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.200, 104.300, 105.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.110 - 2.170 |
R-factor | 0.242 |
Rwork | 0.241 |
R-free | 0.26970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cwc |
Data reduction software | CrystFEL |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.110 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 45382 | 3665 |
<I/σ(I)> | 7.9 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 1 | 1 |
CC(1/2) | 0.996 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8.5 | 294 | 0.2M Sodium acetate trihydrate, 0.1M Tris 8.5, 30% w/v PEG 4000 |