2PS2

Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Aspergillus oryzae

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	2007-04-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	94.865, 94.865, 330.673
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 1.800
R-factor	0.194
Rwork	0.194
R-free	0.20900
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.800
Rmerge	0.067
Number of reflections	136762
Completeness [%]	97.2
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	1 M Tri-sodium citrate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K