8DKL
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 | P 1 21 1 |
| Unit cell lengths | 44.960, 53.800, 114.760 |
| Unit cell angles | 90.00, 101.36, 90.00 |
Refinement procedure
| Resolution | 38.580 - 1.900 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.24130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6wtm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.091 |
| 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] | 38.580 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 81400 | 4081 |
| <I/σ(I)> | 1.38 | |
| Completeness [%] | 98.0 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.998 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium Formate, 0.1 M Bis-Tris Propane pH 6.5, 20% PEG 3350 |
