8RV6
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 | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2023-03-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 171.031, 171.031, 51.867 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.350 - 2.250 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.22510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
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] | 48.950 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.290 | 2.916 |
Rmeas | 0.298 | 2.989 |
Rpim | 0.066 | 0.654 |
Number of reflections | 41455 | 78661 |
<I/σ(I)> | 8.6 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.4 | 20.8 |
CC(1/2) | 0.997 | 0.572 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M MES (pH 5.6), 12% PEG 3350, 0.1 M magnesium chloride |