5ORZ
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 | 81.970, 81.970, 175.490 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.985 - 1.920 |
R-factor | 0.1994 |
Rwork | 0.197 |
R-free | 0.24430 |
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] | 40.985 | 40.985 | 1.970 |
High resolution limit [Å] | 1.920 | 8.590 | 1.920 |
Rmerge | 0.038 | 0.020 | 1.920 |
Rmeas | 0.040 | 0.021 | 2.018 |
Number of reflections | 50418 | 582 | 3718 |
<I/σ(I)> | 26.83 | 93.96 | 1.3 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 10.402 | 10.808 | 10.609 |
CC(1/2) | 1.000 | 1.000 | 0.547 |
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 |