2AU9

Inorganic pyrophosphatase complexed with substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-25
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	H 3 2
Unit cell lengths	110.247, 110.247, 74.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.300
R-factor	0.1487
Rwork	0.149
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i6t
RMSD bond length	0.017
RMSD bond angle	0.041
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.049	0.538
Number of reflections	46439
<I/σ(I)>	19	2
Completeness [%]	99.2	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		pH 5.0