5O2B
Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.160, 71.253, 67.800 |
| Unit cell angles | 90.00, 103.88, 90.00 |
Refinement procedure
| Resolution | 50.050 - 2.038 |
| R-factor | 0.2012 |
| Rwork | 0.199 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.918 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 71.253 |
| High resolution limit [Å] | 2.038 |
| Number of reflections | 35449 |
| <I/σ(I)> | 12.9 |
| Completeness [%] | 99.4 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG3350, 0.2M magnesium chloride, 0.1M bis-tris pH 5.5 |
