4BRX
Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-18 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.530, 45.400, 66.320 |
Unit cell angles | 90.00, 95.24, 90.00 |
Refinement procedure
Resolution | 38.480 - 2.050 |
R-factor | 0.1985 |
Rwork | 0.196 |
R-free | 0.23878 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jko |
RMSD bond length | 0.011 |
RMSD bond angle | 1.434 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.120 | 0.450 |
Number of reflections | 14690 | |
<I/σ(I)> | 8.81 | 2.48 |
Completeness [%] | 87.6 | 69.6 |
Redundancy | 4.3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 100 MM TRIS, PH 8.5, 200MM LISO4, 26% PEG4000, 10MM TCEP |