3COH
Crystal structure of Aurora-A in complex with a pentacyclic inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97945 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 99.542, 99.542, 138.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.24769 |
Rwork | 0.246 |
R-free | 0.28044 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1muo |
RMSD bond length | 0.009 |
RMSD bond angle | 1.418 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.558 | |
Number of reflections | 19773 | |
Completeness [%] | 99.6 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 291 | 30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M HEPES, pH 7.5, EVAPORATION, temperature 291K |