6OTL

Structure of Aedes aegypti OBP22 in the complex with benzaldehyde

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2013-09-13
Detector	RDI CMOS_8M
Wavelength(s)	1.254
Spacegroup name	P 31 2 1
Unit cell lengths	87.760, 87.760, 59.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.590
R-factor	0.19512
Rwork	0.194
R-free	0.20913
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.385
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.684
High resolution limit [Å]	2.590	2.591
Rmerge	0.067	0.288
Rmeas	0.095	0.408
Rpim	0.067	0.288
Number of reflections	8456	798
<I/σ(I)>	27.32	3.23
Completeness [%]	99.4	96.85
Redundancy	2	2
CC(1/2)	0.983	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	2M Ammonium sulfate, 0.1 M sodium citrate, 0.2M sodium potassium tartrate