3HRC
Crystal structure of a mutant of human PDK1 Kinase domain in complex with ATP
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 | 2006-09-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9340 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.080, 43.790, 47.490 |
| Unit cell angles | 90.00, 101.50, 90.00 |
Refinement procedure
| Resolution | 46.520 - 1.910 |
| R-factor | 0.18165 |
| Rwork | 0.181 |
| R-free | 0.20693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.425 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.550 | 2.010 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.064 | 0.315 |
| Number of reflections | 22445 | |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 96.4 | 80.4 |
| Redundancy | 3.7 | 3.2 |
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 |
