3I4K

Crystal structure of Muconate lactonizing enzyme from Corynebacterium glutamicum

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	2009-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	108.541, 156.709, 202.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.920 - 2.200
R-factor	0.244
Rwork	0.244
R-free	0.27700
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.200
Rmerge	0.086
Number of reflections	174838
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5		30% PEG4000, 0.1M tris, 0.2M sodium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP