4FR2

Alcohol dehydrogenase from Oenococcus oeni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	200
Detector technology	CCD
Collection date	2012-06-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.872600
Spacegroup name	P 43 21 2
Unit cell lengths	88.825, 88.825, 151.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.560 - 3.200
R-factor	0.28131
Rwork	0.279
R-free	0.33406
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BFJ Chain A
RMSD bond length	0.008
RMSD bond angle	1.191
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	76.560
High resolution limit [Å]	3.200
Number of reflections	10505
Completeness [%]	59.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES (pH 6.5), 16 % [w/w] PEG20000, 10mM CaCl2 in the drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K