5OS4
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 | 81.520, 81.520, 174.020 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.598 - 1.880 |
R-factor | 0.2054 |
Rwork | 0.204 |
R-free | 0.23980 |
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] | 70.598 | 70.598 | 1.930 |
High resolution limit [Å] | 1.880 | 8.410 | 1.880 |
Rmerge | 0.071 | 0.024 | 1.891 |
Rmeas | 0.075 | 0.025 | 1.985 |
Total number of observations | 539071 | ||
Number of reflections | 52111 | 604 | 3848 |
<I/σ(I)> | 18.08 | 67.28 | 1.17 |
Completeness [%] | 98.8 | 98.7 | 98.7 |
Redundancy | 10.345 | 10.987 | 10.702 |
CC(1/2) | 0.999 | 0.999 | 0.540 |
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 |