3FXZ
Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172
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 | 2008-04-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.183, 103.475, 122.653 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.380 - 1.640 |
| R-factor | 0.19618 |
| Rwork | 0.195 |
| R-free | 0.21841 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.324 |
| 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] | 30.000 | 1.710 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.077 | 0.533 |
| Number of reflections | 40150 | |
| <I/σ(I)> | 22.5 | 3 |
| Completeness [%] | 98.7 | 94.1 |
| Redundancy | 6.7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris pH 8.0, 1M NaCl, 25% PEG 4000, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
