6OMW

Structure of Aedes aegypti OBP22 in the complex with palmitoleic 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	2018-09-18
Detector	DECTRIS PILATUS3 X 200K-A
Wavelength(s)	1.54178
Spacegroup name	P 31
Unit cell lengths	154.214, 154.214, 58.163
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.550 - 2.100
R-factor	0.21235
Rwork	0.211
R-free	0.24688
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	OBP22 structure slved by tantalum SAD
RMSD bond length	0.005
RMSD bond angle	1.015
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.550	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.075	0.446
Rmeas	0.084	0.576
Rpim	0.038	0.361
Number of reflections	89691	7315
<I/σ(I)>	12.39	2.37
Completeness [%]	97.5	80.92
Redundancy	3.7	2.3
CC(1/2)	0.996	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	291	1.4M ammonium sulfate, 0.1M citric acid