5OSE
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 | 81.970, 81.970, 175.260 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.988 - 1.900 |
R-factor | 0.1917 |
Rwork | 0.190 |
R-free | 0.23700 |
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] | 70.988 | 70.988 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.052 | 0.024 | 2.360 |
Rmeas | 0.054 | 0.026 | 2.479 |
Total number of observations | 534964 | ||
Number of reflections | 52003 | 605 | 3877 |
<I/σ(I)> | 19.76 | 62.62 | 1.02 |
Completeness [%] | 100.0 | 99.7 | 99.9 |
Redundancy | 10.287 | 10.737 | 10.647 |
CC(1/2) | 1.000 | 0.999 | 0.471 |
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 |