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 |