2HJ9

Crystal structure of the Autoinducer-2-bound form of Vibrio harveyi LuxP complexed with the periplasmic domain of LuxQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-02
Detector	ADSC QUANTUM 315
Spacegroup name	P 43 21 2
Unit cell lengths	83.916, 83.916, 365.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 2.340
R-factor	0.20966
Rwork	0.207
R-free	0.26178
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.458
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.420
High resolution limit [Å]	2.340	2.340
Number of reflections	55573
Completeness [%]	98.1	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	1:1 mixture of protein (20 mg/ml in 20 mM Tris-HCl (pH 7.5), 150 mM NaCl) and well solution (27.5% (w/v) PEG 400, 100 mM potassium nitrate, 100 mM 2-morpholinoethanesulfonic acid monohydrate (pH 6.0), 100 M 4,5-dihydroxy-2,3-pentane dione, and 1 mM boric acid), VAPOR DIFFUSION, SITTING DROP, temperature 296K