2JKK
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 | 44.135, 45.153, 67.457 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 31.510 - 2.000 |
| R-factor | 0.18189 |
| Rwork | 0.179 |
| R-free | 0.23628 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mp8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.400 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.310 |
| Number of reflections | 16953 | |
| <I/σ(I)> | 11.2 | 2.58 |
| Completeness [%] | 93.2 | 61 |
| Redundancy | 3.9 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 37%PEG4K, 0.2M LISO4, 0.1M TRIS PH8.5, 10 MM TCEP |
