3W2C
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.488 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.210, 86.050, 85.960 |
Unit cell angles | 90.00, 89.83, 90.00 |
Refinement procedure
Resolution | 45.730 - 2.450 |
R-factor | 0.25624 |
Rwork | 0.253 |
R-free | 0.31958 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.880 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.731 | 2.480 |
High resolution limit [Å] | 2.400 | 2.450 |
Number of reflections | 50800 | |
Completeness [%] | 85.0 | 49 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |