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 |
