33YM
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative ligand JB2926
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 | 167.983, 167.983, 51.779 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.740 - 2.600 |
| R-factor | 0.2005 |
| Rwork | 0.199 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.255 |
| 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] | 145.480 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.200 | 3.398 |
| Rmeas | 0.210 | 3.571 |
| Rpim | 0.064 | 1.096 |
| Number of reflections | 26020 | 3140 |
| <I/σ(I)> | 13.7 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.9 | 20.7 |
| CC(1/2) | 0.999 | 0.365 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 12.5% PEG 3350, 200 mM magnesium chloride |
