3Q4Z
Structure of unphosphorylated PAK1 kinase domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.988, 79.996, 65.664 |
| Unit cell angles | 90.00, 107.51, 90.00 |
Refinement procedure
| Resolution | 31.989 - 1.887 |
| R-factor | 0.1864 |
| Rwork | 0.184 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yhw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.242 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.065 | 0.352 |
| Number of reflections | 48944 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 97.8 | 87.7 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.1M Hepes pH 7.5, 25% PEG 3350, 0.2M Ammonium Sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
