4D58
Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.983, 123.368, 50.843 |
| Unit cell angles | 90.00, 94.65, 90.00 |
Refinement procedure
| Resolution | 61.680 - 1.950 |
| R-factor | 0.19725 |
| Rwork | 0.196 |
| R-free | 0.22848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jkk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.267 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.680 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.040 | 0.320 |
| Number of reflections | 40150 | |
| <I/σ(I)> | 11.2 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM TRIS PH 8.5, 75 MM LISO4, 22% PEG4000, 10 MM TCEP |
