4GU9
Focal adhesion kinase catalytic domain in complex with (2-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
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 | 2009-07-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.541, 88.288, 136.761 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.000 - 2.400 |
| R-factor | 0.1801 |
| Rwork | 0.178 |
| R-free | 0.22080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pxk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.560 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.091 | 0.456 |
| Number of reflections | 22728 | |
| <I/σ(I)> | 14.3 | 5.2 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6.5 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | 0.1 M tris, 16% PEG3350, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
