9SAN
Crystal structure of SARS-CoV-2 NSP14 in complex with compound 27
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 | 2022-12-19 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.814, 102.076, 91.254 |
| Unit cell angles | 90.00, 109.27, 90.00 |
Refinement procedure
| Resolution | 54.230 - 2.730 |
| R-factor | 0.215 |
| Rwork | 0.214 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.749 |
| 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] | 65.920 | 2.770 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmeas | 0.099 | 1.257 |
| Rpim | 0.048 | 0.591 |
| Number of reflections | 31372 | 1558 |
| <I/σ(I)> | 10.4 | 1.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.984 | 0.473 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 7% isopropanol and 0.1 M imidazole, pH 7.75 |
