2DW6

Crystal structure of the mutant K184A of D-Tartrate Dehydratase from Bradyrhizobium japonicum complexed with Mg++ and D-tartrate

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	2006-04-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97911
Spacegroup name	P 61 2 2
Unit cell lengths	150.997, 150.997, 444.101
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.211
Rwork	0.209
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tzz
RMSD bond length	0.006
RMSD bond angle	1.350
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	115401
Completeness [%]	86.8	72.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.8M K/Na L-tartrate, 0.1M Tris.HCl, 0.5% PEG MME 5000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K