2JKM
Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-03 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.058, 45.602, 66.440 |
Unit cell angles | 90.00, 95.39, 90.00 |
Refinement procedure
Resolution | 37.560 - 2.310 |
R-factor | 0.21055 |
Rwork | 0.208 |
R-free | 0.27227 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mp8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.475 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.370 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.010 | 0.240 |
Number of reflections | 10867 | |
<I/σ(I)> | 10.8 | 3.36 |
Completeness [%] | 92.6 | 70.1 |
Redundancy | 3.4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 25% PEG4000, 0.1 M TRIS PH8.5, 10 MM TCEP |