5BPH

Crystal structure of AMP complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2013-05-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.997
Spacegroup name	P 21 21 21
Unit cell lengths	62.585, 106.071, 210.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.960 - 1.700
R-factor	0.17868
Rwork	0.177
R-free	0.20949
RMSD bond length	0.022
RMSD bond angle	2.179
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]	1.700
Rmerge	0.070
<I/σ(I)>	50
Completeness [%]	99.9
Redundancy	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287	0.2 M sodium acetate, 0.1 M Bis-Tris pH 7.0, 29% PEG 8000