3RFC

Crystal structure of D-alanine-D-alanine ligase A from Xanthomonas oryzae pathovar oryzae with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-11
Detector	ADSC QUANTUM 210
Wavelength(s)	0.96418
Spacegroup name	P 43 21 2
Unit cell lengths	83.236, 83.236, 98.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.320 - 2.100
R-factor	0.20821
Rwork	0.204
R-free	0.28249
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.989
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	20817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	285	20% PEG 400, 0.1M Tris 8.5, 0.2M magnesium chloride, 0.3 M dimethylethyl-(3-sulfopropyl)-ammonium, VAPOR DIFFUSION, SITTING DROP, temperature 285K