1YGZ

Crystal Structure of Inorganic Pyrophosphatase from Helicobacter pylori

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MACSCIENCE
Wavelength(s)	0.9797, 0.9799, 0.9740
Spacegroup name	P 3
Unit cell lengths	115.055, 115.055, 73.782
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
Rwork	0.206
R-free	0.26500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.240
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.058	0.359
<I/σ(I)>	17.5	2.8
Completeness [%]		88.1
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	287	MPD, imidazole, magnesium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K