3QBN
Structure of Human Aurora A in Complex with a diaminopyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2010-10-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.978600 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 84.200, 84.200, 169.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 3.500 |
| R-factor | 0.2573 |
| Rwork | 0.244 |
| R-free | 0.33360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dwb |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.607 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.000 | 3.600 | |
| High resolution limit [Å] | 3.500 | 16.000 | 3.500 |
| Rmerge | 0.041 | 0.010 | 0.672 |
| Number of reflections | 4883 | 67 | 369 |
| <I/σ(I)> | 27.27 | 77.9 | 2.7 |
| Completeness [%] | 99.6 | 91.8 | 100 |
| Redundancy | 5.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 100 mM Na-citrate, 15-20% PEG8000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
