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6OQ8

Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2017-04-11
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.97919
Spacegroup nameP 43 21 2
Unit cell lengths114.711, 114.711, 301.010
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution107.190 - 2.200
R-factor0.19853
Rwork0.197
R-free0.21989
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle0.898
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0232)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]107.1902.260
High resolution limit [Å]2.2002.200
Rmerge0.1100.630
Number of reflections1125679996
<I/σ(I)>19.2
Completeness [%]99.6
Redundancy13.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2910.1M Tris, pH 8.8, 0.4 M ammonium sulfate, and 24% PEG 3350

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