5ORX
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
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 | 2016-02-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.400, 82.400, 174.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 66.068 - 1.880 |
R-factor | 0.2223 |
Rwork | 0.220 |
R-free | 0.26960 |
Data reduction software | xia2 |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.068 | 66.068 | 1.930 |
High resolution limit [Å] | 1.880 | 8.410 | 1.880 |
Rmerge | 0.065 | 0.028 | 2.165 |
Rmeas | 0.068 | 0.029 | 2.275 |
Number of reflections | 54044 | 621 | 3990 |
<I/σ(I)> | 16.97 | 56.5 | 1.09 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 10.263 | 10.868 | 10.609 |
CC(1/2) | 0.999 | 0.999 | 0.440 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350 |