4ZY6
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-06-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97740 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.634, 82.241, 66.137 |
| Unit cell angles | 90.00, 106.11, 90.00 |
Refinement procedure
| Resolution | 29.360 - 2.150 |
| R-factor | 0.1896 |
| Rwork | 0.187 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.150 |
| Number of reflections | 9458 |
| <I/σ(I)> | 21.4 |
| Completeness [%] | 99.3 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 292 | 25% PEG 3500, 0.2M Ammonium Sulfate and 0.1M Tris pH 8 |
