9PH8
Crystal structure of SARS-CoV-2 nsp14 with SAM 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 | 2021-03-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.217, 100.565, 90.684 |
| Unit cell angles | 90.00, 109.35, 90.00 |
Refinement procedure
| Resolution | 65.170 - 2.790 |
| R-factor | 0.2208 |
| Rwork | 0.220 |
| R-free | 0.24810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.019 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.560 | 3.060 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rpim | 0.061 | 0.584 |
| Number of reflections | 19774 | 989 |
| <I/σ(I)> | 9.8 | 1.3 |
| Completeness [%] | 89.7 | 56.8 |
| Redundancy | 7 | 6.7 |
| CC(1/2) | 0.998 | 0.478 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | 3.5 % (v/v) 1,7-heptanediol 0.2 M DL-malate-imidazole pH 8.8 5.1% (w/v) polyethylene glycol 20000 |
