3W16
Structure of Aurora kinase A complexed to pyrazole-aminoquinoline inhibitor III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 76 |
Detector technology | CCD |
Collection date | 2010-10-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.488 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 83.113, 83.113, 169.191 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.990 - 2.800 |
R-factor | 0.23496 |
Rwork | 0.231 |
R-free | 0.32228 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.649 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.990 | 3.000 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 8629 | |
Completeness [%] | 95.0 | 90.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |