8DI3
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 | 2022-01-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97940 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.490, 52.920, 44.850 |
Unit cell angles | 90.00, 102.90, 90.00 |
Refinement procedure
Resolution | 31.090 - 1.500 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wtm |
RMSD bond length | 0.006 |
RMSD bond angle | 0.949 |
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] | 31.090 | 1.554 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 79605 | 40798 |
<I/σ(I)> | 11.03 | |
Completeness [%] | 98.0 | |
Redundancy | 5.4 | |
CC(1/2) | 0.997 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium Phosphate, 0.1 M Tris, 50 % MPD |