4EAC

Crystal structure of mannonate dehydratase from Escherichia coli strain K12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-23
Detector	MX-225 CCD
Wavelength(s)	0.97916
Spacegroup name	P 21 21 2
Unit cell lengths	158.961, 238.461, 54.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.420 - 2.300
R-factor	0.1847
Rwork	0.183
R-free	0.21863
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fvm
RMSD bond length	0.008
RMSD bond angle	1.144
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	132.270	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	92475
Completeness [%]	99.7	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	25% PEG 3350, 0.1M Tris-HCl,0.1M magnesium chloride hexahydrate , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 287.0K