5C1O

Crystal structure of AMP-PNP 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	2015-03-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.997
Spacegroup name	P 21 21 21
Unit cell lengths	63.029, 106.795, 212.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.690 - 2.500
R-factor	0.19108
Rwork	0.188
R-free	0.24346
RMSD bond length	0.015
RMSD bond angle	1.731
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]	2.500
Rmerge	0.080
Number of reflections	50546
<I/σ(I)>	35.5
Completeness [%]	99.8
Redundancy	6.5

Crystallization Conditions

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