1F8F

CRYSTAL STRUCTURE OF BENZYL ALCOHOL DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-05
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	82.294, 96.985, 103.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.198
Rwork	0.197
R-free	0.26300
RMSD bond length	0.020
RMSD bond angle	2.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.072	0.265
Number of reflections	20575
<I/σ(I)>	17.05
Completeness [%]	95.9	94.9
Redundancy	4.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	PEG-MME2000, lithium sulphate, 2,3,4,5,6-pentafluorobenzyl alcohol, sodium acetate, zinc chloride, EDTA, NADH, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K