1JP4

Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.244
Spacegroup name	P 21 21 21
Unit cell lengths	48.635, 74.493, 92.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.700 * - 1.690
R-factor	0.147 *
Rwork	0.147
R-free	0.18000 *
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.670 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB (v2.0)
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.940	1.780
High resolution limit [Å]	1.690	1.690
Rmerge	0.090	0.369
Number of reflections	38295
<I/σ(I)>	12.4	4
Completeness [%]	99.6 *	99.6
Redundancy	5.3	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	293	PEG 8K, magnesium acetate, sodium cacodylate, lithium chloride, magnesium chloride, PAP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	Vapor diffusion *	6.5	293	PEG 8K, magnesium acetate, sodium cacodylate, lithium chloride, magnesium chloride, PAP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%(w/v))
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
4	1	drop	protein	10 (mg/ml)
5	1	drop		5 (mM)
6	1	drop		6 (mM)
7	1	drop	PAP	0.6 (mM)