3FXG

Crystal structure of rhamnonate dehydratase from Gibberella zeae 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	2008-11-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	200.898, 201.085, 82.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.940 - 1.900
R-factor	0.165
Rwork	0.163
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p0i
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]	1.900
Rmerge	0.059
Number of reflections	258503
Completeness [%]	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.4M Tri-sodium citrate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K