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 |