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 |
