1I9Z

CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 5-PHOSPHATASE DOMAIN (IPP5C) OF SPSYNAPTOJANIN IN COMPLEX WITH INOSITOL (1,4)-BISPHOSPHATE AND CALCIUM ION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2001-01-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	148.999, 67.705, 51.995
Unit cell angles	90.00, 106.15, 90.00

Refinement procedure

Resolution	32.000 - 1.800
R-factor	0.191 *
Rwork	0.191
R-free	0.21800
Structure solution method	SIRAS
RMSD bond length	0.022 *
RMSD bond angle	2.140 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000
High resolution limit [Å]	1.800	1.800
Rmerge	0.038	0.145 *
Total number of observations	148755 *
Number of reflections	44082 *
<I/σ(I)>	17.8
Completeness [%]	95.6	82.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	8	4 *	sodium chloride, tris, 2-mercaptoethanol, pH 8.0, MICRODIALYSIS, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	8 (mg/ml)
2	1	2		150 (mM)
3	1	2	Tris-HCl	20 (mM)
4	1	2	MPD	10 (mM)