3HRF
Crystal structure of Human PDK1 kinase domain in complex with an allosteric activator bound to the PIF-pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.550, 44.000, 47.240 |
| Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
| Resolution | 46.470 - 1.900 |
| R-factor | 0.16511 |
| Rwork | 0.165 |
| R-free | 0.17680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.463 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.470 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.094 | 0.368 |
| Number of reflections | 23875 | |
| <I/σ(I)> | 3.9 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 1.4M SODIUM CITRATE, 0.1M SODIUM HEPES PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
