9SAJ
Crystal structure of SARS-CoV-2 NSP14 in complex with compound 5
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 | 2022-08-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.805, 102.363, 90.743 |
| Unit cell angles | 90.00, 109.19, 90.00 |
Refinement procedure
| Resolution | 65.710 - 2.480 |
| R-factor | 0.2023 |
| Rwork | 0.201 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.699 |
| 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] | 65.800 | 2.520 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmeas | 0.069 | 1.128 |
| Rpim | 0.033 | 0.530 |
| Number of reflections | 40958 | 2075 |
| <I/σ(I)> | 13.1 | 1.3 |
| Completeness [%] | 98.6 | 100 |
| Redundancy | 4.3 | 4.5 |
| CC(1/2) | 0.999 | 0.647 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 7% isopropanol and 0.1 M imidazole, pH 7.75 |
