1O6K
Structure of activated form of PKB kinase domain S474D with GSK3 peptide and AMP-PNP
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 | 2002-07-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.906, 60.998, 129.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.700 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CDK1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.470 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.078 | 0.186 |
| Total number of observations | 116971 * | |
| Number of reflections | 27820 * | |
| <I/σ(I)> | 6 | 2.3 |
| Completeness [%] | 82.4 | 63.7 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | 20 * | 10 MG/ML PROTEIN 20 PEG 4K, 10% ISOPROPONAL, 5 MM DTT, pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | AMP-PNP-MnCl2 | 5 (mM) | |
| 3 | 1 | drop | GSK3beta-peptide | 0.6 (mM) | |
| 4 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
| 5 | 1 | reservoir | iso-propanol | 10 (%(v/v)) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 7 | 1 | reservoir | dithiothreitol | 5 (mM) |
