5OSF
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 | 82.200, 82.200, 175.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.152 - 1.890 |
R-factor | 0.2043 |
Rwork | 0.202 |
R-free | 0.25410 |
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] | 45.152 | 45.152 | 1.940 |
High resolution limit [Å] | 1.890 | 8.450 | 1.890 |
Rmerge | 0.038 | 0.024 | 1.617 |
Rmeas | 0.040 | 0.025 | 1.697 |
Total number of observations | 552338 | ||
Number of reflections | 53101 | 604 | 3938 |
<I/σ(I)> | 26.09 | 80.41 | 1.38 |
Completeness [%] | 99.9 | 98.4 | 99.9 |
Redundancy | 10.402 | 10.879 | 10.708 |
CC(1/2) | 1.000 | 0.999 | 0.559 |
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 |