4ZY5
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-09-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.566, 81.900, 65.800 |
| Unit cell angles | 90.00, 106.04, 90.00 |
Refinement procedure
| Resolution | 48.470 - 2.350 |
| R-factor | 0.1966 |
| Rwork | 0.195 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.852 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.350 |
| Number of reflections | 7237 |
| <I/σ(I)> | 16.7 |
| Completeness [%] | 97.7 |
| Redundancy | 3.6 |
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 |
