5C1P

Crystal structure of ADP and D-alanyl-D-alanine complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.997
Spacegroup name	P 21 21 21
Unit cell lengths	62.670, 106.545, 211.103
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.020 - 2.400
R-factor	0.19874
Rwork	0.197
R-free	0.23376
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.617
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Rmerge	0.090
Number of reflections	56216
<I/σ(I)>	32.4
Completeness [%]	100.0
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287	0.2M Sodium acetate, 0.1M ris pH7.0, 29% PEG 8000