8RZE
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2024-01-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 168.065, 168.065, 52.008 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.980 - 2.000 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.946 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.010 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.165 | 2.809 |
| Rmeas | 0.169 | 2.879 |
| Rpim | 0.037 | 0.629 |
| Number of reflections | 56996 | 4159 |
| <I/σ(I)> | 13.2 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.9 | 20.7 |
| CC(1/2) | 0.999 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 12% PEG 3350, 0.12 M magnesium chloride |
