4HCL

CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-Lyxarohydroxamate

Replaces:  3TU2

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	2011-07-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	I 4
Unit cell lengths	118.260, 118.260, 133.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.397 - 1.800
R-factor	0.1856
Rwork	0.184
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rvk
RMSD bond length	0.007
RMSD bond angle	1.089
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]	37.397
High resolution limit [Å]	1.800
Number of reflections	80784
Completeness [%]	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	3.0 M SODIUM CHLORIDE, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K