4ZQI

Crystal structure of Apo 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	2013-11-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	62.993, 107.027, 211.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.410 - 2.300
R-factor	0.20605
Rwork	0.204
R-free	0.24819
RMSD bond length	0.015
RMSD bond angle	1.570
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]	2.250
Number of reflections	66609
<I/σ(I)>	9
Completeness [%]	100.0
Redundancy	14.6

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, 29% PEG 8000