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