2JKQ
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 | 44.523, 44.887, 66.435 |
| Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
| Resolution | 33.080 - 2.600 |
| R-factor | 0.217 |
| Rwork | 0.215 |
| R-free | 0.26187 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mp8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.295 |
| 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 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.180 | 0.290 |
| Number of reflections | 7576 | |
| <I/σ(I)> | 8 | 3.08 |
| Completeness [%] | 92.1 | 63.4 |
| Redundancy | 4.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 31% PEG4000, 0.1 M TRIS PH 8.5, 10 MM TCEP |
