4BGQ
Crystal structure of the human CDKL5 kinase domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.942, 65.507, 102.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.260 - 2.000 |
| R-factor | 0.17517 |
| Rwork | 0.174 |
| R-free | 0.20135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bbm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.290 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.020 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.370 |
| Number of reflections | 23993 | |
| <I/σ(I)> | 22.6 | 4.8 |
| Completeness [%] | 99.2 | 92.9 |
| Redundancy | 12.2 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15% PEG SMEAR MEDIUM, 0.1M TRIS PH 8.0, 0.075M SODIUM ACETATE, 0.15M SODIUM CHLORIDE |
