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 |