4JDI
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.912, 61.912, 181.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.320 - 1.850 |
| R-factor | 0.19417 |
| Rwork | 0.192 |
| R-free | 0.23318 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fif |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.328 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.091 | 0.000 |
| Number of reflections | 31180 | |
| <I/σ(I)> | 22.778 | 1.771 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.3 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M Tris-HCl, 1.5 - 2.0 M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
