1Q41
GSK-3 Beta complexed with Indirubin-3'-monoxime
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-07-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.438, 86.443, 178.825 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.100 |
Rwork | 0.229 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h8f |
RMSD bond length | 0.012 |
RMSD bond angle | 22.900 * |
Data scaling software | SCALEPACK |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.060 * | 0.423 * |
Total number of observations | 334335 * | |
Number of reflections | 76152 | |
<I/σ(I)> | 21.3325 | 3.592 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.39 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 20 * | PEG 3350 MONODISPERSE, GLYCEROL, MAGNESIUM CHLORIDE, HEPES, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 12 (mg/ml) | |
2 | 1 | drop | glycerol | 10 (%) | |
3 | 1 | drop | 185 (mM) | ||
4 | 1 | drop | HEPES | 100 (mM) | pH7.2 |
5 | 1 | reservoir | PEG3350 monodisperse | 16-24 (%(w/v)) | |
6 | 1 | reservoir | glycerol | 5 (%) | |
7 | 1 | reservoir | 20 (mM) | ||
8 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |