3BSM

Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens

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 21 21 2
Unit cell lengths	110.125, 163.070, 84.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.930 - 2.200
R-factor	0.243
Rwork	0.243
R-free	0.26800
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.200
Rmerge	0.078
Number of reflections	77523
Completeness [%]	99.5
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% PEG MME 5000, 0.1M MES, 0.2M Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K