5VEF
PAK4 kinase domain in complex with fasudil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97919 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.940, 61.940, 182.741 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.798 - 1.752 |
R-factor | 0.2022 |
Rwork | 0.200 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fij |
RMSD bond length | 0.008 |
RMSD bond angle | 1.080 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rpim | 0.031 | 0.709 |
Number of reflections | 35807 | 3297 |
<I/σ(I)> | 20.4 | |
Completeness [%] | 97.0 | 91.4 |
Redundancy | 12.2 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M Tris-HCl (pH 7.5) and 1.5 - 2.0 M Na acetate |