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5CLU

THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]100
Detector technologyCCD
Collection date2014-05-23
DetectorRIGAKU SATURN 944
Wavelength(s)1.54178
Spacegroup nameP 1 21 1
Unit cell lengths42.370, 41.070, 72.060
Unit cell angles90.00, 104.23, 90.00
Refinement procedure
Resolution50.000 - 1.550
Rwork0.160
R-free0.18600
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1ca2
Data reduction softwareCrystalClear
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.610
High resolution limit [Å]1.5501.550
Number of reflections32510
<I/σ(I)>18.162.55
Completeness [%]92.375.9
Redundancy4.72.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2932.5 M (NH4)2SO4, 0.3 M NaCl, 100 mM Tris-HCl (pH 8.2)

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