4BBM
CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312
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 | 2011-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.583, 68.047, 82.343 |
| Unit cell angles | 71.53, 89.92, 88.97 |
Refinement procedure
| Resolution | 39.390 - 2.000 |
| R-factor | 0.24386 |
| Rwork | 0.243 |
| R-free | 0.26896 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aaa |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.312 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.390 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.770 |
| Number of reflections | 42854 | |
| <I/σ(I)> | 11.2 | 2.4 |
| Completeness [%] | 97.6 | 98.4 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M (NH4)2SO4, 0.1M CACODYLATE PH 6.5, 30% PEG 8K |
