4EBV
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Detector technology | CCD |
| Collection date | 2008-05-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.99 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.222, 47.954, 83.281 |
| Unit cell angles | 90.00, 112.45, 90.00 |
Refinement procedure
| Resolution | 39.310 - 1.670 |
| R-factor | 0.18974 |
| Rwork | 0.187 |
| R-free | 0.23563 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mp8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.191 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.042 | 0.193 |
| Number of reflections | 31536 | |
| <I/σ(I)> | 26 | 5 |
| Completeness [%] | 89.1 | 51.5 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG4000, 8% 2-Propanol, 12% Glycerol, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
