5DT4
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 I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.500, 82.500, 170.020 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.700 - 2.860 |
R-factor | 0.1932 |
Rwork | 0.190 |
R-free | 0.25590 |
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] | 56.670 | 2.930 |
High resolution limit [Å] | 2.860 | 2.860 |
Rmerge | 0.070 | 2.210 |
Number of reflections | 8500 | |
<I/σ(I)> | 26 | 1.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 18.2 | 18.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | 100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG 3350 |