4DIT
Crystal Structure of GSK3beta in complex with a Imidazopyridine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-04 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.784, 72.540, 80.663 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.330 - 2.600 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.30400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i09 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.045 | 0.446 |
| Number of reflections | 12413 | |
| <I/σ(I)> | 38.84 | 3.29 |
| Completeness [%] | 92.0 | 91.3 |
| Redundancy | 5.1 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.1M Tris pH 8.0, 15% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
