5OBJ
Aurora A kinase in complex with 2-(3-fluorophenyl)quinoline-4-carboxylic acid and ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.410, 83.410, 172.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.324 - 2.901 |
| R-factor | 0.2154 |
| Rwork | 0.214 |
| R-free | 0.24550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.188 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.240 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.017 | 0.188 |
| Rpim | 0.066 | 0.731 |
| Number of reflections | 8428 | 604 |
| <I/σ(I)> | 24.7 | 3.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.5 | 8.1 |
| CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 50 MM HEPES, 200 MM MAGNESIUM SULFATE, 20% PEG 3350 |
