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 |
