4KAO
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-pyridin-3- yl-phenyl)-urea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-04-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.430, 52.290, 65.200 |
| Unit cell angles | 96.51, 103.12, 89.44 |
Refinement procedure
| Resolution | 42.560 - 2.390 |
| R-factor | 0.1827 |
| Rwork | 0.181 |
| R-free | 0.21630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.600 | 2.530 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.060 | 0.041 |
| Number of reflections | 22565 | |
| <I/σ(I)> | 2.62 | |
| Completeness [%] | 95.9 | 88.7 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 0.1 M TRIS, 16% PEG 3350, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
