9SAL
Crystal structure of SARS-CoV-2 NSP14 in complex with compound 18
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-02 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.689, 101.633, 91.407 |
| Unit cell angles | 90.00, 108.57, 90.00 |
Refinement procedure
| Resolution | 43.830 - 2.290 |
| R-factor | 0.2032 |
| Rwork | 0.203 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.700 |
| 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] | 86.650 | 2.330 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmeas | 0.048 | 1.077 |
| Rpim | 0.020 | 0.440 |
| Number of reflections | 51355 | 2638 |
| <I/σ(I)> | 16.3 | 1.3 |
| Completeness [%] | 97.4 | 100 |
| Redundancy | 5.7 | 5.9 |
| CC(1/2) | 0.999 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 7% isopropanol and 0.1 M imidazole, pH 7.75 |
