5DNR
Aurora A Kinase in complex with ATP in space group P41212
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 | 2014-07-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 81.460, 81.460, 137.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.220 - 1.950 |
| R-factor | 0.20642 |
| Rwork | 0.205 |
| R-free | 0.22552 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.694 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.600 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.054 | 0.670 |
| Number of reflections | 34608 | |
| <I/σ(I)> | 27.7 | 4.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 12.9 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 100 mM HEPES, 200 mM magnesium sulfate, 2-20% PEG 3350 |
