4O0W
Crystal structures of human kinase Aurora A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.681, 82.681, 171.606 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.802 - 2.600 |
| R-factor | 0.246 |
| Rwork | 0.244 |
| R-free | 0.27660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mq4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.064 | 0.523 |
| Number of reflections | 10926 | |
| <I/σ(I)> | 36.8 | 3.6 |
| Completeness [%] | 96.2 | 83.3 |
| Redundancy | 11.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.2M Ammonium sulfate, 0.1M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
