1QFC

STRUCTURE OF RAT PURPLE ACID PHOSPHATASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-01-15
Detector	RIGAKU RAXIS IV
Spacegroup name	I 41
Unit cell lengths	116.380, 116.380, 63.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.700
R-factor	0.234 *
Rwork	0.234
R-free	0.28100
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.107 *
Number of reflections	10486
<I/σ(I)>	8	2
Completeness [%]	90.5	70.1
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.4 *	18 *	pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	16 (%(w/v))
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir	potassium phosphate	0.1 (M)
4	1	drop	protein	5 (mg/ml)
5	1	drop	ammonium acetate	10 (mM)