4QLZ

The structure of inorganic pyrophosphatase from Schistosoma japonicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9707
Spacegroup name	P 32
Unit cell lengths	76.080, 76.080, 123.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.890 - 2.326
R-factor	0.2137
Rwork	0.211
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e9g
RMSD bond length	0.010
RMSD bond angle	1.377
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.894	2.409
High resolution limit [Å]	2.326	2.326
Number of reflections	33781
Completeness [%]	98.5	92.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.1M Tris-HCl pH 8.0, 24% PEG 3350, 0.4M MgCl2, 0.4M Sodium malonate, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K