4P90
Crystal structure of the kinase domain of human PAK1 in complex with compound 15
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 | 2012-09-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.400, 83.360, 66.020 |
| Unit cell angles | 90.00, 105.04, 90.00 |
Refinement procedure
| Resolution | 50.640 - 2.490 |
| R-factor | 0.2094 |
| Rwork | 0.208 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yhv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.360 | 2.630 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.041 | 0.569 |
| Number of reflections | 22335 | |
| <I/σ(I)> | 14.4 | 1.4 |
| Completeness [%] | 97.6 | 96.7 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 0.2M ammonium sulphate, 16% PEG 3350, 0.1M Hepes (pH 7.6) |
