3QPE

Crystal structure of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with D-Galacturonate and 5-keto-4-deoxy-D-Galacturonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	158.019, 66.265, 154.609
Unit cell angles	90.00, 95.73, 90.00

Refinement procedure

Resolution	39.030 - 1.796
R-factor	0.2235
Rwork	0.221
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p3b
RMSD bond length	0.007
RMSD bond angle	1.037
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	39.030
High resolution limit [Å]	1.796
Number of reflections	147514
Completeness [%]	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG 3350, 0.1M Tris, 0.2M Magnesium Chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K