3P86
Crystal structure of CTR1 kinase domain mutant D676N in complex with staurosporine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9763 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 122.334, 122.334, 95.011 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.640 - 2.496 |
R-factor | 0.1967 |
Rwork | 0.195 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c4c |
RMSD bond length | 0.010 |
RMSD bond angle | 0.961 |
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] | 44.284 | 2.640 |
High resolution limit [Å] | 2.496 | 2.500 |
Rmerge | 0.833 | |
Number of reflections | 25665 | |
<I/σ(I)> | 2.39 | |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 292 | 1.0M Na/K phosphate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 292K |