1FAJ

INORGANIC PYROPHOSPHATASE

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	H 3 2
Unit cell lengths	111.500, 111.500, 76.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.150
R-factor	0.187
Rwork	0.187
RMSD bond length	0.020
RMSD bond angle	25.700 *
Data reduction software	DENZO
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.000	2.000 *
Rmerge	0.073
Total number of observations	106709 *
Number of reflections	12452
Completeness [%]	99.9	99.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)
3	1	drop		4 (mM)
4	1	reservoir	PEG6000	2 (%)
5	1	reservoir		0.85 (M)
6	1	reservoir		50 (mM)