3VCC

CRYSTAL STRUCTURE OF D-Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	C 1 2 1
Unit cell lengths	154.347, 65.985, 75.636
Unit cell angles	90.00, 93.56, 90.00

Refinement procedure

Resolution	40.525 - 1.640
R-factor	0.1812
Rwork	0.179
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p3b
RMSD bond length	0.007
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.525
High resolution limit [Å]	1.640
Number of reflections	84573
Completeness [%]	90.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	25% PEG 3350, 0.1M Tris, 0.2M magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K