5ORP
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 | 82.060, 82.060, 174.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.839 - 2.190 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.27330 |
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] | 65.839 | 65.839 | 2.250 |
High resolution limit [Å] | 2.190 | 9.790 | 2.190 |
Rmerge | 0.068 | 0.020 | 1.890 |
Rmeas | 0.072 | 0.021 | 1.984 |
Total number of observations | 355786 | ||
Number of reflections | 33989 | 394 | 2531 |
<I/σ(I)> | 21.74 | 81.12 | 1.27 |
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 10.468 | 10.769 | 10.849 |
CC(1/2) | 1.000 | 1.000 | 0.485 |
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 |