5OS0
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 | 82.210, 82.210, 175.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 71.196 - 1.740 |
R-factor | 0.2195 |
Rwork | 0.217 |
R-free | 0.26350 |
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] | 71.196 | 71.196 | 1.790 |
High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
Rmerge | 0.046 | 0.020 | 2.425 |
Rmeas | 0.048 | 0.021 | 2.573 |
Total number of observations | 700484 | ||
Number of reflections | 68298 | 781 | 5064 |
<I/σ(I)> | 23.8 | 80.55 | 0.91 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 10.256 | 10.104 | 9.004 |
CC(1/2) | 1.000 | 1.000 | 0.402 |
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 |