4KS7
PAK6 kinase domain in complex with PF-3758309
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.573, 59.709, 100.541 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.710 - 1.400 |
| R-factor | 0.1946 |
| Rwork | 0.193 |
| R-free | 0.21748 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c30 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.034 |
| 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 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 57856 | |
| <I/σ(I)> | 19.97 | 1.57 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 30% (v/v) isopropanol, 0.1M Bicine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
