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 |