3W18
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 76 |
| Detector technology | CCD |
| Collection date | 2010-10-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.940, 85.860, 85.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.170 - 2.500 |
| R-factor | 0.24428 |
| Rwork | 0.240 |
| R-free | 0.31517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.768 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.170 | 2.700 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 15100 | |
| Completeness [%] | 81.0 | 90 |
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 |
