4C7T
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 | 44.370, 45.280, 66.660 |
| Unit cell angles | 90.00, 95.11, 90.00 |
Refinement procedure
| Resolution | 38.400 - 2.050 |
| R-factor | 0.22048 |
| Rwork | 0.219 |
| R-free | 0.24649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jko |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.194 |
| 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 | 0.070 | 0.460 |
| Number of reflections | 16457 | |
| <I/σ(I)> | 14.91 | 3.2 |
| Completeness [%] | 98.2 | 99.1 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM TRIS, PH 8.5, 200MM LISO4, 26% PEG4000, 10MM TCEP |
