4DAW
Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-12 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 51.676, 103.549, 122.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.950 - 2.000 |
| R-factor | 0.20296 |
| Rwork | 0.201 |
| R-free | 0.23761 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fxz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.373 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.137 | 0.587 |
| Number of reflections | 22771 | |
| <I/σ(I)> | 15.2 | 3.4 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 25 PEG 4000, 1 M NaCl, 10 mM DTT, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
