9SAK
Crystal structure of SARS-CoV-2 NSP14 in complex with compound 6
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 | 2022-11-30 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.383, 102.050, 90.869 |
| Unit cell angles | 90.00, 108.72, 90.00 |
Refinement procedure
| Resolution | 44.840 - 2.300 |
| R-factor | 0.2007 |
| Rwork | 0.200 |
| R-free | 0.24930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.688 |
| 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] | 44.880 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 0.044 | 0.941 |
| Rpim | 0.021 | 0.446 |
| Number of reflections | 50538 | 2551 |
| <I/σ(I)> | 16.8 | 1.5 |
| Completeness [%] | 97.7 | 100 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.999 | 0.675 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 7% isopropanol and 0.1 M imidazole, pH 7.75 |
