5DEY
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2014-10-22 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.661, 81.863, 65.916 |
Unit cell angles | 90.00, 106.40, 90.00 |
Refinement procedure
Resolution | 34.585 - 2.100 |
R-factor | 0.1856 |
Rwork | 0.183 |
R-free | 0.22750 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.079 |
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] | 2.100 |
Number of reflections | 35169 |
<I/σ(I)> | 24.9 |
Completeness [%] | 93.4 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 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 |