3QKE

Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with Mg and 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	2010-11-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	195.536, 85.782, 195.143
Unit cell angles	90.00, 110.33, 90.00

Refinement procedure

Resolution	41.217 - 1.550
R-factor	0.1808
Rwork	0.179
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ow1
RMSD bond length	0.006
RMSD bond angle	1.059
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	41.217
High resolution limit [Å]	1.550
Number of reflections	398136
Completeness [%]	91.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20 % PEG 3350, 0.2 M sodium malonate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K