4Y8D
Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.706, 68.703, 89.868 |
| Unit cell angles | 109.70, 95.08, 99.04 |
Refinement procedure
| Resolution | 43.580 - 2.100 |
| R-factor | 0.19432 |
| Rwork | 0.192 |
| R-free | 0.23154 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c58 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.436 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.580 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.071 | 0.602 |
| Number of reflections | 45797 | |
| <I/σ(I)> | 11.9 | 2 |
| Completeness [%] | 94.7 | 92.4 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293.15 | 9% Broad-molecular weight PEG Smears (BMW PEG smears), 0.1M MES pH 6.2, 0.15M calcium chloride |
