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6WRO

CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM BUT NO LITHIUM AT 3 ANGSTROM RESOLUTION

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]296
Detector technologyAREA DETECTOR
Collection date1994-08-10
DetectorUCSD MARK II
Wavelength(s)1.542
Spacegroup nameP 41
Unit cell lengths51.640, 51.640, 143.330
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.280 - 3.000
R-factor0.19534
Rwork0.193
R-free0.23590
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1inp
RMSD bond length0.006
RMSD bond angle0.817
Data reduction softwareUCSD-system
Data scaling softwareUCSD-system
Phasing softwareSQUASH
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]8.3003.230
High resolution limit [Å]3.0003.000
Number of reflections127191000
<I/σ(I)>3.5
Completeness [%]78.670
Redundancy1.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.2529310% PEG 8000, 80mM Bis-Tris, pH 5.25, 2mM Gd2(SO4)3

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