5MRD
Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
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 | 2012-08-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.110, 44.480, 47.810 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 46.772 - 1.410 |
| R-factor | 0.1419 |
| Rwork | 0.140 |
| R-free | 0.17420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.610 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.000 |
| High resolution limit [Å] | 1.410 |
| Number of reflections | 57639 |
| <I/σ(I)> | 13 |
| Completeness [%] | 97.1 |
| Redundancy | 2.5 |
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, 10 MM DTT |
