9SOZ
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 006
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 | 2024-08-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976238 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 168.416, 168.416, 51.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.930 - 2.000 |
| R-factor | 0.1889 |
| Rwork | 0.188 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.001 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 146.386 | 2.033 |
| High resolution limit [Å] | 1.999 | 1.999 |
| Rmerge | 0.221 | 5.043 |
| Rmeas | 0.227 | 5.162 |
| Rpim | 0.049 | 1.102 |
| Number of reflections | 57461 | 2832 |
| <I/σ(I)> | 10.3 | 0.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.1 | 21.7 |
| CC(1/2) | 0.999 | 0.358 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 40mM magnesium chloride, 3% PEG 3350, 0.1 M MES, pH 5.6 |
