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 |
