2PVP

Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-05
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	70.969, 89.016, 121.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.400
Rwork	0.229
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	122.169	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.061	0.491
Number of reflections	30126
<I/σ(I)>	27.3	2.88
Redundancy	5.9	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M HEPES, pH 7.5, 10% PEG6000, 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 277K