8DKK
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97940 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.740, 54.490, 44.880 |
Unit cell angles | 90.00, 101.03, 90.00 |
Refinement procedure
Resolution | 38.450 - 2.000 |
R-factor | 0.2058 |
Rwork | 0.203 |
R-free | 0.24970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wtm |
RMSD bond length | 0.008 |
RMSD bond angle | 0.946 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.450 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 35645 | 1825 |
<I/σ(I)> | 1.55 | |
Completeness [%] | 98.8 | |
Redundancy | 6.9 | |
CC(1/2) | 0.997 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaCl, 0.1 M HEPES pH 7.0, 20% PEG 6000 |