3SAY
Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-09-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.520, 110.780, 67.910 |
| Unit cell angles | 90.00, 97.08, 90.00 |
Refinement procedure
| Resolution | 46.140 - 2.231 |
| R-factor | 0.20189 |
| Rwork | 0.200 |
| R-free | 0.22983 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JLD chain A |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.592 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.140 | 2.300 |
| High resolution limit [Å] | 2.231 | 2.231 |
| Rmerge | 0.100 | 0.561 |
| Number of reflections | 46924 | |
| <I/σ(I)> | 7.1 | 2.5 |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | 20% PEG3350, 0.1M sodium Hepes pH 7.0, 2% (v/v) Tacsimate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
