5LVL
Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-30 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.240, 44.430, 47.250 |
| Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
| Resolution | 72.917 - 1.400 |
| R-factor | 0.1542 |
| Rwork | 0.153 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.566 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 73.000 |
| High resolution limit [Å] | 1.400 |
| Number of reflections | 59735 |
| <I/σ(I)> | 14.7 |
| Completeness [%] | 99.8 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.2 M NA CITRATE, 0.1 M HEPES PH 7.5, 0.01 M DTT |
