6WRR

CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AND LITHIUM 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	1992-07-10
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	15.450 - 2.500
R-factor	0.16537
Rwork	0.163
R-free	0.20497
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1inp
RMSD bond length	0.008
RMSD bond angle	1.056
Data reduction software	UCSD-system
Data scaling software	UCSD-system
Phasing software	SQUASH
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.450	2.690
High resolution limit [Å]	2.500	2.500
Number of reflections	26197	2250
<I/σ(I)>	10.8
Completeness [%]	96.0	95.6
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	13% PEG8000, 200mM Li2SO4 and 100mM Tris, pH 6.3. Upon reaching maximum size after ~5 days, a Gd3+ heavy atom derivative was prepared by adding 0.5uL of 17.5mM Gd2(SO4)3 in reservoir solution to 3uL hanging drops (2.5mM final Gd3+) containing native crystals for 48 hours