2JKO
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 | 45.691, 47.063, 62.979 |
| Unit cell angles | 90.00, 98.63, 90.00 |
Refinement procedure
| Resolution | 27.670 - 1.650 |
| R-factor | 0.18998 |
| Rwork | 0.188 |
| R-free | 0.21744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mp8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.168 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.010 | 0.210 |
| Number of reflections | 30455 | |
| <I/σ(I)> | 13.2 | 3.38 |
| Completeness [%] | 94.4 | 59.7 |
| Redundancy | 4.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 16% PEG4000, 0.1 M HEPES PH 7.5, 0.1 M MGCL2, 10 MM TCEP |
