5VEE
PAK4 kinase domain in complex with FRAX486
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 | 62.955, 62.955, 183.509 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.27564 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fij |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.691 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rpim | 0.021 | 0.835 |
| Number of reflections | 13760 | 1313 |
| <I/σ(I)> | 23.1 | 1.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 20.1 |
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 |
