3JYP

Quinate dehydrogenase from Corynebacterium glutamicum in complex with quinate and NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9000
Spacegroup name	C 1 2 1
Unit cell lengths	120.820, 63.250, 35.730
Unit cell angles	90.00, 94.39, 90.00

Refinement procedure

Resolution	30.000 - 1.160
R-factor	0.13838
Rwork	0.138
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jyo
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.200
High resolution limit [Å]	1.160	1.160
Rmerge	0.081	0.400
Number of reflections	88244
<I/σ(I)>	26.87	4.19
Completeness [%]	95.9	92.5
Redundancy	6.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	24 % PEG 6000, 400 mM calcium chloride, 100 mM Tris/HCl, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K