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 |