2GTE

Drosophila OBP LUSH bound to attractant pheromone 11-cis-vaccenyl acetate

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]	95
Detector technology	CCD
Wavelength(s)	1.127
Spacegroup name	P 21 21 21
Unit cell lengths	53.124, 65.270, 80.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.200 - 1.400
R-factor	0.17768
Rwork	0.175
R-free	0.20283
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Apo-LUSH
RMSD bond length	0.009
RMSD bond angle	1.314
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.200	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.078	0.311
Number of reflections	55876
<I/σ(I)>	14	4.2
Completeness [%]	99.9	99.9
Redundancy	6.68	5.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	1:1 protein/well sol. (4ul total) over 0.5 mL well, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K