9S0M
Crystal structure of SARS-CoV-2 NSP14 in complex with compound 1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.587, 101.864, 91.018 |
| Unit cell angles | 90.00, 108.86, 90.00 |
Refinement procedure
| Resolution | 63.960 - 2.850 |
| R-factor | 0.2322 |
| Rwork | 0.231 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.722 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.960 | 2.900 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmeas | 0.102 | 1.165 |
| Rpim | 0.050 | 0.536 |
| Number of reflections | 26758 | 1348 |
| <I/σ(I)> | 12.3 | 1.4 |
| Completeness [%] | 97.5 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.998 | 0.556 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 7% isopropanol and 0.1 M imidazole, pH 7.75 |
