5ORN
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 | 82.380, 82.380, 175.990 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.312 - 2.190 |
R-factor | 0.2025 |
Rwork | 0.200 |
R-free | 0.26150 |
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] | 45.312 | 45.312 | 2.260 |
High resolution limit [Å] | 2.190 | 9.840 | 2.200 |
Rmerge | 0.080 | 0.052 | 1.487 |
Rmeas | 0.084 | 0.055 | 1.560 |
Number of reflections | 33968 | 395 | 2513 |
<I/σ(I)> | 15.47 | 43 | 1.59 |
Completeness [%] | 99.9 | 98.8 | 100 |
Redundancy | 10.487 | 10.856 | 10.783 |
CC(1/2) | 0.999 | 0.999 | 0.656 |
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 |