33YN
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative ligand 1371
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 | 167.710, 167.710, 51.676 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.850 - 1.750 |
| R-factor | 0.2019 |
| Rwork | 0.201 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.141 |
| 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] | 145.240 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.149 | 3.920 |
| Rmeas | 0.152 | 4.026 |
| Rpim | 0.033 | 0.912 |
| Number of reflections | 83964 | 4633 |
| <I/σ(I)> | 17.3 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 41.6 | 38 |
| CC(1/2) | 1.000 | 0.499 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 7.5 % PEG 3350, 80 mM magnesium chloride |
