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7SO7

Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2016-07-12
DetectorRAYONIX MX-300
Wavelength(s)0.97872
Spacegroup nameP 21 21 2
Unit cell lengths210.540, 320.080, 65.610
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution74.800 - 3.590
R-factor0.2113
Rwork0.209
R-free0.25830
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3d69
RMSD bond length0.004
RMSD bond angle0.702
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.12_2829)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]74.8003.680
High resolution limit [Å]3.5903.590
Rpim0.1070.557
Number of reflections531783907
<I/σ(I)>8.6
Completeness [%]100.099.9
Redundancy7.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1M Na cacodylate, 0.2M CaCl2, 40% PEG400

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