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 |