3HPF

Crystal structure of the mutant Y90F of divergent galactarate dehydratase from Oceanobacillus iheyensis complexed with Mg and galactarate

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	2009-04-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	I 4
Unit cell lengths	119.966, 119.966, 122.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.790 - 1.800
R-factor	0.195
Rwork	0.194
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3es7
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.800
Rmerge	0.087
Number of reflections	79510
Completeness [%]	99.8

Crystallization Conditions

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