3PPZ
Crystal structure of CTR1 kinase domain in complex with staurosporine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-31 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.87260 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 95.271, 95.271, 179.692 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.200 - 2.990 |
R-factor | 0.2041 |
Rwork | 0.201 |
R-free | 0.25570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c4c |
RMSD bond length | 0.002 |
RMSD bond angle | 0.540 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.636 | 3.180 |
High resolution limit [Å] | 2.990 | 3.000 |
Number of reflections | 17053 | |
Completeness [%] | 98.3 | 97.4 |
Redundancy | 5.5 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.2M K2SO4, 15% w/v PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |