4A07
Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 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 | RAYONIX |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.210, 44.030, 47.670 |
| Unit cell angles | 90.00, 101.23, 90.00 |
Refinement procedure
| Resolution | 36.242 - 1.850 |
| R-factor | 0.1609 |
| Rwork | 0.159 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.090 |
| 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] | 47.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.100 | 0.720 |
| Number of reflections | 25852 | |
| <I/σ(I)> | 15.5 | 2.8 |
| Completeness [%] | 99.3 | 98.9 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.2 M NA CITRATE 0.1 M HEPES PH 7.5 10 M DTT. |
