9SP2
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor GSA972
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2025-04-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 168.178, 168.178, 51.946 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.050 - 2.000 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.061 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.650 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.302 | 2.598 |
| Rmeas | 0.317 | 2.726 |
| Rpim | 0.096 | 0.821 |
| Number of reflections | 56882 | 4148 |
| <I/σ(I)> | 8 | 1.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 21.2 | 21.4 |
| CC(1/2) | 0.991 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 3% PEG 3350, 40 mM magnesium chloride |
