1WGJ

STRUCTURE OF INORGANIC PYROPHOSPHATASE

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	59.100, 103.800, 117.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.172
Rwork	0.172
R-free	0.20300
RMSD bond length	0.011
RMSD bond angle	25.000 *
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]	8.000 *
High resolution limit [Å]	2.000 *	2.000 *
Rmerge	0.103
Total number of observations	236904 *
Number of reflections	45565 *
Completeness [%]	89.2 *	82.9 *
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MES	30 (mM)
2	1	drop		1 (mM)
3	1	drop	sodium hydrogen phosphate	1 (mM)
4	1	drop	MPD	17 (%)
5	1	reservoir	MPD	19 (%)