4CT1
Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-04 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.600, 44.610, 48.000 |
| Unit cell angles | 90.00, 101.84, 90.00 |
Refinement procedure
| Resolution | 26.263 - 1.850 |
| R-factor | 0.1722 |
| Rwork | 0.170 |
| R-free | 0.21550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.433 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.120 | 0.720 |
| Number of reflections | 26467 | |
| <I/σ(I)> | 14.8 | 3.1 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.2 M NA CITRATE, 0.1 M HEPES PH 7.5, 10 MM DTT |
