3BOX

Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg

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	2006-02-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	F 4 3 2
Unit cell lengths	271.956, 271.956, 271.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.830 - 1.800
R-factor	0.201
Rwork	0.201
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i5q
RMSD bond length	0.005
RMSD bond angle	1.400
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]	1.800
Rmerge	0.068
Number of reflections	77763
Completeness [%]	97.7
Redundancy	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.4 M Sodium malonate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K