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PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-07-15
Detector	RIGAKU RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	64.610, 70.010, 77.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.550
R-factor	0.213
Rwork	0.213
R-free	0.25700
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.310
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.059	0.271
Total number of observations	140370 *
Number of reflections	46161 *
<I/σ(I)>	9.6	2.1
Completeness [%]	89.4	57.4 *
Redundancy	3	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5		25% (W/V) PEG3350, 0.1 M LICL, 5% (V/V)ISOPROPANOL, 0.1 M SODIUM CITRATE PH 5.0. PROTEIN CONCENTRATION 38 MG/ML. PROTEIN CONCENTRATION 38MG/ML.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	0.1 (M)
2	1	reservoir	PEG3300	25 (%(w/v))
3	1	reservoir		0.1 (M)
4	1	reservoir	isopropanol	10 (%(v/v))