33YO
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative ligand 1375
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 | 2026-06-26 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 167.607, 167.607, 51.580 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.800 - 2.050 |
| R-factor | 0.2199 |
| Rwork | 0.219 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.965 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (2.2_6143) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.150 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.300 | 4.226 |
| Rmeas | 0.308 | 4.328 |
| Rpim | 0.067 | 0.936 |
| Number of reflections | 52268 | 4027 |
| <I/σ(I)> | 10.1 | 1.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 41.2 | 42 |
| CC(1/2) | 0.998 | 0.596 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 2.5 % PEG 3350, 170 mM magnesium chloride |
