6OGH
Structure of Aedes aegypti OBP22 in the complex with linoleic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-15 |
Detector | DECTRIS PILATUS3 X 200K-A |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 55.964, 42.843, 49.320 |
Unit cell angles | 90.00, 92.78, 90.00 |
Refinement procedure
Resolution | 28.000 - 1.850 |
R-factor | 0.16975 |
Rwork | 0.166 |
R-free | 0.20630 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 1.063 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.950 | 1.916 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.065 | 0.106 |
Rmeas | 0.067 | 0.110 |
Rpim | 0.017 | 0.029 |
Number of reflections | 10076 | 987 |
<I/σ(I)> | 45.41 | 28.57 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 15.3 | 14 |
CC(1/2) | 0.999 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 3350 12 w/v, 0.1M sodium HEPES, 4mM cadmium chloride, 4mM cobalt chloride, 4mM magnesium chloride |