3CZ5

Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-04
Detector	MAR CCD 165 mm
Wavelength(s)	0.9798
Spacegroup name	P 42 21 2
Unit cell lengths	126.610, 126.610, 91.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.2
Rwork	0.196
R-free	0.27500
Structure solution method	SAD
RMSD bond length	0.026
RMSD bond angle	2.472
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.168	0.061
Number of reflections	39043
<I/σ(I)>	4.7
Completeness [%]	99.7	100	99.4
Redundancy	5.6	6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	294	20% PEG 1000, 0.1 M Phosphate-citrate, 0.2 M Li2SO4, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K