2PP1

Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate

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 2 2 2
Unit cell lengths	123.187, 173.826, 173.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.870 - 2.200
R-factor	0.223
Rwork	0.223
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pp0
RMSD bond length	0.007
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	0.069
Number of reflections	163956
Completeness [%]	86.8
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2.0 M AmS, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K