5DFP
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2009-06-12 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 51.965, 103.819, 123.542 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.820 - 2.200 |
R-factor | 0.1931 |
Rwork | 0.190 |
R-free | 0.24640 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.136 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.200 |
Number of reflections | 17366 |
<I/σ(I)> | 10.1 |
Completeness [%] | 99.5 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 1 uL of PAK1 (9 mg/ml) with 1 uL of crystallization solution (0.1 M HEPES pH 7.0, 1 M NaCl, 25% PEG 3350, 10 mM DTT) at 4C |