5WRT

Crystal structure of type I inorganic pyrophosphatase from Toxoplasma gondii.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-24
Detector	MARRESEARCH
Wavelength(s)	0.953
Spacegroup name	P 32 2 1
Unit cell lengths	88.957, 88.957, 158.665
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.602 - 2.348
R-factor	0.206
Rwork	0.204
R-free	0.23230
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.914
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.11.1-2575_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.348
Number of reflections	30191
<I/σ(I)>	104.2
Completeness [%]	95.6
Redundancy	38
CC(1/2)	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	10% PEG20000, 20 % glycerol, 0.03M glycols, 0.1 M HEPES/MOPS pH7.2