1QEZ

SULFOLOBUS ACIDOCALDARIUS INORGANIC PYROPHOSPHATASE: AN ARCHAEL PYROPHOSPHATASE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	294
Detector technology	IMAGE PLATE
Collection date	1997-02
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	70.120, 98.730, 107.250
Unit cell angles	90.00, 78.01, 90.00

Refinement procedure

Resolution	8.000 - 2.700
Rwork	0.197
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2prd
RMSD bond length	0.007
RMSD bond angle	27.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.091 *	0.280 *
Total number of observations	256303 *
Number of reflections	38004
<I/σ(I)>	10.1	1.8
Completeness [%]	93.8	62.2
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	26 *	protein solution is mixed 2:1 with well solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	21-26 (mg/ml)
2	1	reservoir	PEG8000	3.5-4.5 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	Tris-HCl	0.1 (M)