4K9Y
FOCAL ADHESION KINASE Catalytic domain in complex with 1-[4-(6-Amino-purin-9-yl)-phenyl]-3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-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 | 2009-10-19 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.790, 61.770, 61.900 |
| Unit cell angles | 90.00, 100.50, 90.00 |
Refinement procedure
| Resolution | 26.840 - 2.000 |
| R-factor | 0.1646 |
| Rwork | 0.163 |
| R-free | 0.18920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| 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] | 42.900 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.439 |
| Number of reflections | 33672 | |
| <I/σ(I)> | 14.6 | 4.4 |
| Completeness [%] | 98.9 | 96.1 |
| Redundancy | 3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, 4.3 M NACL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
