4JDH
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide T peptide substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.10000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.926, 61.926, 179.397 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.18468 |
| Rwork | 0.183 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fif |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.007 |
| 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] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.000 |
| Number of reflections | 24692 | |
| <I/σ(I)> | 27.906 | 1.703 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.4 | 12.8 |
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 |
