3JW7

Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ile-L-Tyr

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	2008-10-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	194.918, 187.442, 91.894
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.221
Rwork	0.221
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jva
RMSD bond length	0.005
RMSD bond angle	1.100
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	0.085
Number of reflections	299981
Completeness [%]	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.4M Sodium Citrate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K