5ORT
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 | 82.440, 82.440, 176.180 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.220 - 2.560 |
R-factor | 0.2077 |
Rwork | 0.204 |
R-free | 0.27520 |
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] | 41.220 | 41.220 | 2.630 |
High resolution limit [Å] | 2.560 | 11.450 | 2.560 |
Rmerge | 0.132 | 0.058 | 1.780 |
Rmeas | 0.144 | 0.061 | 1.991 |
Number of reflections | 20853 | 249 | 1455 |
<I/σ(I)> | 8.93 | 30 | 1.1 |
Completeness [%] | 96.3 | 96.9 | 91.5 |
Redundancy | 5.902 | 10.221 | 4.138 |
CC(1/2) | 0.994 | 0.997 | 0.435 |
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 |