8RV4
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2
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 | 2023-08-04 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 168.545, 168.545, 52.174 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 72.980 - 2.350 |
R-factor | 0.2043 |
Rwork | 0.203 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.002 |
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] | 84.270 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.184 | 2.340 |
Rmeas | 0.189 | 2.396 |
Rpim | 0.041 | 0.514 |
Number of reflections | 35621 | 73623 |
<I/σ(I)> | 12.1 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.8 | 21.4 |
CC(1/2) | 0.999 | 0.699 |
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, 0.24 M magnesium chloride |