8RZD
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9
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 | 2024-01-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 168.204, 168.204, 52.057 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 72.830 - 2.100 |
R-factor | 0.2131 |
Rwork | 0.212 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.030 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.100 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.162 | 2.117 |
Rmeas | 0.166 | 2.170 |
Rpim | 0.037 | 0.475 |
Number of reflections | 49446 | 4029 |
<I/σ(I)> | 11.9 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.8 | 20.4 |
CC(1/2) | 0.998 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 9% PEG 3350, 0.14 M magnesium chloride |