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 |