6HJJ
Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-17 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.027, 82.027, 172.609 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 71.037 - 2.130 |
R-factor | 0.2117 |
Rwork | 0.209 |
R-free | 0.26920 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.003 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.040 | 2.206 |
High resolution limit [Å] | 2.130 | 2.130 |
Number of reflections | 19990 | 3856 |
<I/σ(I)> | 17.84 | 1.51 |
Completeness [%] | 99.9 | 99.33 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.427 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M lithium sulfate, 0.1 M sodium acetate pH 4.5, 50 % w/v polyethylene glycol 400; |