8RVB
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 8
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 | 2023-08-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 167.757, 167.757, 51.677 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 72.640 - 1.950 |
R-factor | 0.1876 |
Rwork | 0.187 |
R-free | 0.20330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.931 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.9) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 145.280 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.179 | 2.109 |
Rmeas | 0.183 | 2.158 |
Rpim | 0.039 | 0.456 |
Number of reflections | 66377 | 95853 |
<I/σ(I)> | 13.9 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 21.9 | 22.5 |
CC(1/2) | 0.999 | 0.715 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 5% PEG 3350, 0.22 M magnesium chloride |