6VZH
Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.158, 95.641, 192.593 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.550 |
| R-factor | 0.2174 |
| Rwork | 0.216 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bru |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.489 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 96.300 | 96.300 | 2.620 |
| High resolution limit [Å] | 2.550 | 10.820 | 2.550 |
| Rmerge | 0.131 | 0.047 | 1.559 |
| Rmeas | 0.142 | 0.052 | 1.686 |
| Rpim | 0.055 | 0.021 | 0.637 |
| Total number of observations | 376419 | 5032 | 31565 |
| Number of reflections | 56320 | 858 | 4569 |
| <I/σ(I)> | 8.7 | 25.5 | 1.1 |
| Completeness [%] | 99.9 | 99.8 | 99.9 |
| Redundancy | 6.7 | 5.9 | 6.9 |
| CC(1/2) | 0.997 | 0.998 | 0.676 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 27.5% PEG3350, 300 mM lithium sulfate, 0.1 M sodium tartrate, 0.1 M Bis-Tris, 0.1 M glycylglycine, cryoprotectant: 30% glycerol |
