6WRY

CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AT 2.5 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1994-07-22
Detector	UCSD MARK II
Wavelength(s)	1.542
Spacegroup name	P 41
Unit cell lengths	51.640, 51.640, 143.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.950 - 2.800
R-factor	0.20742
Rwork	0.205
R-free	0.25027
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1inp
RMSD bond length	0.008
RMSD bond angle	1.041
Data reduction software	UCSD-system
Data scaling software	UCSD-system
Phasing software	SQUASH
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.950	3.020
High resolution limit [Å]	2.800	2.800
Number of reflections	15787	1210
<I/σ(I)>	4.2
Completeness [%]	79.0	70
Redundancy	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.25	293	-Mg2+/-Li+/+Ins(1,3,4)P3/+Gd3+ (data=ip1r): Reservoir solution consisted of 10% PEG 8000, 80mM Bis-Tris, pH 5.25, 2mM Gd2(SO4)3, 1mM Ins(1,3,4)P3