2QDI

Drosophila OBP LUSH D118A mutation

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]	113
Detector technology	CCD
Collection date	2007-05-15
Detector	CUSTOM-MADE
Wavelength(s)	0.979
Spacegroup name	P 43
Unit cell lengths	46.805, 46.805, 109.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.000 - 2.000
R-factor	0.218
Rwork	0.213
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WT-LUSH
RMSD bond length	0.008
RMSD bond angle	1.038
Data reduction software	d*TREK
Data scaling software	d*TREK (9.3L)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.620	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.438
Total number of observations		7687
Number of reflections	15955
<I/σ(I)>	10.9	3.3
Completeness [%]	100.0	99.8
Redundancy	4.87	4.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	Diffraction-quality crystals grown from microcrystals fed protein, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K