2O5K
Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-25 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.940, 72.632, 81.795 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.530 - 3.200 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.30900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r0e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.400 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.092 | 0.390 |
| Number of reflections | 6785 | |
| <I/σ(I)> | 9.8 | 2.1 |
| Completeness [%] | 92.2 | 79 |
| Redundancy | 5.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES Na, 0.1M Proline, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
