3FY0
Crystal structure of PAK1 kinase domain with ruthenium complex DW1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Detector technology | CCD |
| Collection date | 2007-11-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.050, 102.660, 122.341 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.140 - 2.350 |
| R-factor | 0.20451 |
| Rwork | 0.202 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.321 |
| 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 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.143 | 0.402 |
| Number of reflections | 14162 | |
| <I/σ(I)> | 11.3 | 4 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 5.5 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES pH 7.5, 1M NaCl, 25% PEG 10000, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
