8V42
Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.552, 96.615, 190.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 2.300 |
Rwork | 0.199 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.916 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.930 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.176 | 2.417 |
Number of reflections | 75682 | |
<I/σ(I)> | 11.8 | 1.8 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 13.6 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0 |