3OW1

Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens complexed with MG

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	2010-09-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	86.585, 177.787, 109.993
Unit cell angles	90.00, 102.62, 90.00

Refinement procedure

Resolution	35.172 - 1.798
R-factor	0.1627
Rwork	0.161
R-free	0.19420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bsm
RMSD bond length	0.007
RMSD bond angle	1.085
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	35.172
High resolution limit [Å]	1.798
Number of reflections	295193
Completeness [%]	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.5 M AMMONIUM SULFATE, 0.1 M Bis-Tris, 0.1M Sodium Chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K