1O6L
Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.936, 60.997, 131.315 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.600 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CDK1 |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.500 |
| 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] | 35.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.052 | 0.198 |
| Total number of observations | 150113 * | |
| Number of reflections | 42775 * | |
| <I/σ(I)> | 6.1 | 3.4 |
| Completeness [%] | 94.2 | 88.7 |
| Redundancy | 3.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | 20 * | 10 MG/ML PROTEIN, 20% (W/V) POLYETHYLENE, GLYCOL 4000, 10% (V/V) ISOPROPANOL, 0.1 M HEPES (PH 7.5), 5 MM DTT |
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) |
