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3FUQ

Glycosylated SV2 and Gangliosides as Dual Receptors for Botulinum Neurotoxin Serotype F

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2007-05-01
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths42.330, 74.180, 74.770
Unit cell angles90.00, 106.36, 90.00
Refinement procedure
Resolution29.170 - 2.100
R-factor0.206
Rwork0.206
R-free0.24300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3fuo
RMSD bond length0.006
RMSD bond angle1.400
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMERLOT
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.1702.180
High resolution limit [Å]2.1002.100
Number of reflections23953
<I/σ(I)>13.6
Completeness [%]91.858
Redundancy6.55.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52920.1 M Tris-HCL, 18% ethanol and 150 mM NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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