1I9Y

CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 5-PHOSPHATASE DOMAIN (IPP5C) OF SPSYNAPTOJANIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2000-10-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	148.967, 67.407, 51.443
Unit cell angles	90.00, 106.40, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.195 *
Rwork	0.195
R-free	0.22500
Structure solution method	SIRAS
RMSD bond length	0.018 *
RMSD bond angle	1.940 *
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]	30.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.039	0.161 *
Total number of observations	117178 *
Number of reflections	32930 *
<I/σ(I)>	17
Completeness [%]	99.3	96.5

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)