4HCH

CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-tartrate

Replaces:  3SHH

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	2008-04-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	I 4
Unit cell lengths	118.252, 118.252, 133.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.793 - 1.699
R-factor	0.1425
Rwork	0.141
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rvk
RMSD bond length	0.006
RMSD bond angle	1.084
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	37.793
High resolution limit [Å]	1.699
Number of reflections	98528
Completeness [%]	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% PEG3350, 0.2M POTASSIUM SODIUM TARTRATE TETRAHYDRATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K