1UU9
Structure of human PDK1 kinase domain in complex with BIM-3
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 | 2003-02-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 121.629, 121.629, 48.018 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 * - 1.950 |
| R-factor | 0.17642 |
| Rwork | 0.183 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.730 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.100 | 0.586 |
| Total number of observations | 136516 * | |
| Number of reflections | 29917 | 2843 * |
| <I/σ(I)> | 6.9 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.25 * | 2.2 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 | water | 10 (mM) | |
| 2 | 1 | drop | protein | 2 (mg/ml) | |
| 3 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
| 4 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.25 |
