2Q89

Crystal structure of EhuB in complex with hydroxyectoine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.05
Spacegroup name	P 43 21 2
Unit cell lengths	57.135, 57.135, 161.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.236
Rwork	0.235
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.040
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.340
High resolution limit [Å]	2.300	6.180	2.300
Rmerge	0.055	0.035	0.202
Number of reflections	12062
<I/σ(I)>	12.6
Completeness [%]	95.5	78.2	96.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	273	sodium acetate PEG Cadmium chloride, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 273K