5DOS
Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 83.084, 83.084, 169.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 66.230 - 2.980 |
R-factor | 0.2013 |
Rwork | 0.198 |
R-free | 0.27250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fdn |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.950 | 2.987 |
High resolution limit [Å] | 2.977 | 2.977 |
Rmerge | 0.087 | 1.380 |
Number of reflections | 7667 | |
<I/σ(I)> | 20.1 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.9 | 19.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | 100 mM Hepes pH7.4, 200 mM magnesium sulfate, 2-20% PEG 3350 |