2HJE

Crystal structure of Vibrio harveyi LuxQ periplasmic domain

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	2005-07-29
Detector	ADSC QUANTUM 315
Spacegroup name	P 1
Unit cell lengths	33.446, 36.152, 49.185
Unit cell angles	82.18, 86.14, 67.28

Refinement procedure

Resolution	26.100 - 1.700
R-factor	0.19659
Rwork	0.194
R-free	0.23709
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.348
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	21488
Completeness [%]	92.7	85.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	1:3 mixture of protein (10 mg/ml in 10 mM Tris-HCl, 150 mM NaCl, pH 7.5) and well solution (8% (w/v) PEG 2000 monomethyl ether (MME), 10 mM Tris-HCl (pH 7.0), and 10 mM NiCl2), VAPOR DIFFUSION, SITTING DROP, temperature 296K