9SP3
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 1196
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 | 2024-10-02 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 168.222, 168.222, 52.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.340 - 1.700 |
| R-factor | 0.2097 |
| Rwork | 0.209 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.195 | 2.859 |
| Rmeas | 0.205 | 3.009 |
| Rpim | 0.063 | 0.935 |
| Number of reflections | 92697 | 4598 |
| <I/σ(I)> | 13.9 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.4 | 20.4 |
| CC(1/2) | 0.999 | 0.353 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES (pH 5.6), 12% PEG 3350, 0.14 M magnesium chloride |
