8RV9
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 6
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2023-03-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 167.989, 167.989, 51.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.230 - 1.900 |
| R-factor | 0.1875 |
| Rwork | 0.186 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.053 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.860 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.196 | 3.071 |
| Rmeas | 0.201 | 3.158 |
| Rpim | 0.044 | 0.731 |
| Number of reflections | 132380 | 77828 |
| <I/σ(I)> | 13 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.3 | 18.4 |
| CC(1/2) | 0.998 | 0.501 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 5% PEG 3350, 0.24 M magnesium chloride |
