2QJJ

Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans

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	C 2 2 21
Unit cell lengths	117.465, 167.711, 166.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.160 - 1.800
R-factor	0.178
Rwork	0.178
R-free	0.19200
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.800
Rmerge	0.072
Number of reflections	146496
Completeness [%]	96.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	25% PEG 3350, 0.2M ammonium sulfate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K