6B16
P21-activated kinase 1 in complex with a 4-azaindole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-08-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.682, 82.458, 66.036 |
| Unit cell angles | 90.00, 106.31, 90.00 |
Refinement procedure
| Resolution | 38.558 - 2.285 |
| R-factor | 0.2039 |
| Rwork | 0.202 |
| R-free | 0.24960 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.849 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.285 |
| Number of reflections | 29195 |
| <I/σ(I)> | 24.1 |
| Completeness [%] | 99.9 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 25% PEG 3500, 0.2M Ammonium Sulfate and 0.1M Tris pH 8 |
