5DEW
Crystal structure of PAK1 in complex with an inhibitor compound 5
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 | 2013-05-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.556, 81.053, 66.499 |
| Unit cell angles | 90.00, 106.39, 90.00 |
Refinement procedure
| Resolution | 48.231 - 1.900 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21530 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.144 |
| 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] | 1.900 |
| Number of reflections | 13786 |
| <I/σ(I)> | 17.8 |
| Completeness [%] | 99.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | crystals were grown at 19 C from 1.0 uL + 1.0 uL vapor diffusion drops containing 10 mg/mL protein, 1 mM ligand, 0.15 M DL-Malic Acid pH 7.0, 20% - 30% PEG 3350, 4% 1,3-Propanediol and 0.1 M Sodium Malonate, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
