7CMO

Crystal structure of human inorganic pyrophosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	200
Detector technology	CCD
Collection date	2017-11-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	49.905, 135.041, 212.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.060 - 3.400
R-factor	0.2234
Rwork	0.221
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c45
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.970	3.521
High resolution limit [Å]	2.597	3.400
Number of reflections	20300	20287
<I/σ(I)>	7.7
Completeness [%]	97.5
Redundancy	3.05
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20%PEG4K, 50mM Li2SO4,50 Mm Na2SO4,pH 5.5