1OOH

Complex of Drosophila odorant binding protein LUSH with butanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	105
Detector technology	CCD
Collection date	2002-02-21
Detector	SBC-1
Wavelength(s)	0.97895
Spacegroup name	P 43
Unit cell lengths	46.938, 46.938, 111.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.250
R-factor	0.16294
Rwork	0.160
R-free	0.18500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oof
RMSD bond length	0.010
RMSD bond angle	1.315
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.043	0.172
Total number of observations	196015 *
Number of reflections	64084
<I/σ(I)>	21.8	2.8
Completeness [%]	96.7	89.4
Redundancy	3.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4 *	4 or 18 *	PEG 4000, sodium acetate, n-butanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	100 (mM)	pH4.0
2	1	reservoir	PEG4000	25-30 (%(w/v))
3	1	reservoir	alcohol	0.3 (%(v/v))