3FJ4

Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone

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	2008-02-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 4 21 2
Unit cell lengths	131.119, 131.119, 109.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.710 - 1.800
R-factor	0.206
Rwork	0.206
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dgb
RMSD bond length	0.005
RMSD bond angle	1.200
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	0.069
Number of reflections	87668
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	2.0M Ammonium sulfate , 5% iso-Propanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K