1WPP

Structure of Streptococcus gordonii inorganic pyrophosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-08
Detector	MARRESEARCH
Wavelength(s)	0.879
Spacegroup name	P 21 21 2
Unit cell lengths	96.080, 148.960, 43.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.690 - 2.050
R-factor	0.16912
Rwork	0.167
R-free	0.21647
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.535
Data scaling software	XDS
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.050	2.050
Number of reflections	40182
Completeness [%]	97.8	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, STREAK SEEDING	5.6	293	sodium citrate, ammonium sulphate, K/Na-tartrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, STREAK SEEDING, temperature 293K