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1F7N

CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date1998-12-18
DetectorMARRESEARCH
Spacegroup nameP 63
Unit cell lengths79.130, 79.130, 87.210
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 2.200
R-factor0.216
RMSD bond length0.011
RMSD bond angle29.500

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Data reduction softwareMOSFLM
Data scaling softwareCCP4 ((AGROVATA)
Phasing softwareX-PLOR
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0520.348

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Total number of observations88228

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Number of reflections15858
<I/σ(I)>12.6
Completeness [%]95.058.1
Redundancy5.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5

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29513% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein21 (mg/ml)
21drop5 (mM)
31dropbeta-mercaptoethanol2 (mM)
41dropTris-HCl50 (mg/ml)
51reservoirmPEG500013 (%)
61reservoirsodium cacodylate50 (mM)

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