3PWG

Crystal structure of the mutant S29G.P34A of D-Glucarate dehydratase from Escherichia coli complexed with product 5-keto-4-deoxy-D-Glucarate

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	2009-11-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	99.124, 130.658, 158.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.874 - 2.000
R-factor	0.2335
Rwork	0.231
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.048
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	39.874
High resolution limit [Å]	2.000
Number of reflections	128604
Completeness [%]	92.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25% PEG 3350, 0.1M Hepes, 0.2M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K