2PP3

Crystal structure of L-talarate/galactarate dehydratase mutant K197A liganded with Mg and L-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	2007-02-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 4 2 2
Unit cell lengths	174.234, 174.234, 123.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.940 - 2.200
R-factor	0.204
Rwork	0.204
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pp0
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.200
Rmerge	0.074
Number of reflections	83947
Completeness [%]	87.1
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	1.6 M AmS, 0.1 M Tris HCL , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K