2QJN

Crystal structure of D-mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and 2-keto-3-deoxy-D-gluconate

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	2006-02-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	C 2 2 21
Unit cell lengths	116.269, 165.241, 167.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.890 - 2.000
R-factor	0.162
Rwork	0.162
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qjj
RMSD bond length	0.005
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]	2.000
Rmerge	0.073
Number of reflections	104980
Completeness [%]	96.9

Crystallization Conditions

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