9PH9
Crystal structure of SARS-CoV-2 nsp14 with SAH and GpppA bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.100, 99.472, 90.515 |
| Unit cell angles | 90.00, 109.29, 90.00 |
Refinement procedure
| Resolution | 85.430 - 2.257 |
| R-factor | 0.2352 |
| Rwork | 0.234 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.430 | 2.540 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rpim | 0.024 | 0.477 |
| Number of reflections | 32680 | 1635 |
| <I/σ(I)> | 16.3 | 1.4 |
| Completeness [%] | 87.4 | 61.4 |
| Redundancy | 7 | 6 |
| CC(1/2) | 0.999 | 0.563 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 5.1% (w/v) PEG 10000 2.3% (v/v) 1,3-butanediol 0.2 M DL-malate-imidazole |
