5BPF

Crystal structure of ADP 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	2013-07-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9997
Spacegroup name	P 21 21 21
Unit cell lengths	62.872, 106.475, 211.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.510 - 2.280
R-factor	0.18895
Rwork	0.186
R-free	0.25288
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zqi
RMSD bond length	0.016
RMSD bond angle	1.769
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]	2.280
Rmerge	0.080
Number of reflections	64040
<I/σ(I)>	33.5
Completeness [%]	99.9
Redundancy	7.21

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