1UU7
Structure of human PDK1 kinase domain in complex with BIM-2
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 | 2003-02-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 121.947, 121.947, 48.071 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 * - 1.900 |
| R-factor | 0.235 |
| Rwork | 0.234 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.430 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 * | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.076 | 0.592 |
| Total number of observations | 118992 * | |
| Number of reflections | 32482 * | 3218 * |
| <I/σ(I)> | 10 | 2.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.25 * | 2.3 M AMMONIUM SULPHATE 0.1 M TRIS-HCL PH 8.25 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | BIM-2 | 10 (mM) | |
| 2 | 1 | drop | ethanol | 50 (%) | |
| 3 | 1 | drop | protein | 2 (mg/ml) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.3 (M) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.25 |
