1Q4L
GSK-3 Beta complexed with Inhibitor I-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.167, 86.664, 178.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.770 |
| Rwork | 0.212 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8f |
| RMSD bond length | 0.009 |
| 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 | 2.870 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Rmerge | 0.093 * | 0.569 * |
| Total number of observations | 106100 * | |
| Number of reflections | 33530 | |
| <I/σ(I)> | 10.8231 | 1.893 |
| Completeness [%] | 98.5 | 99.6 |
| Redundancy | 3.164 |
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 |
