9SAM
Crystal structure of SARS-CoV-2 NSP14 in complex with compound 26
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 | 2022-11-29 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.576, 101.991, 91.195 |
| Unit cell angles | 90.00, 109.44, 90.00 |
Refinement procedure
| Resolution | 44.590 - 2.540 |
| R-factor | 0.1977 |
| Rwork | 0.197 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.681 |
| 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] | 85.990 | 2.580 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmeas | 0.052 | 1.086 |
| Rpim | 0.026 | 0.557 |
| Number of reflections | 36568 | 1911 |
| <I/σ(I)> | 14.8 | 1.3 |
| Completeness [%] | 94.5 | 99.9 |
| Redundancy | 3.9 | 3.7 |
| CC(1/2) | 0.999 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 7% isopropanol and 0.1 M imidazole, pH 7.75 |
