8Q1Z
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-20 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9183962 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 56.732, 71.031, 158.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.370 - 1.850 |
R-factor | 0.20257 |
Rwork | 0.200 |
R-free | 0.25075 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.344 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.370 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 27769 | 1677 |
<I/σ(I)> | 14.5 | |
Completeness [%] | 99.9 | |
Redundancy | 13.4 | |
CC(1/2) | 0.999 | 0.551 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350 -- 0.2M potassium formate |