4MMW

Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	I 4
Unit cell lengths	118.099, 118.099, 133.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.101 - 1.647
R-factor	0.1714
Rwork	0.170
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rvk
RMSD bond length	0.006
RMSD bond angle	1.069
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	49.101
High resolution limit [Å]	1.647
Number of reflections	109435
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	3.0M sodium chloride, 0.1M hepes, 5% PEG 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K