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7UBX

Structure of a pore forming fragment of Clostridium difficile toxin A in complex with VHH AA6

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-E
Synchrotron siteAPS
Beamline24-ID-E
Temperature [K]100
Detector technologyPIXEL
Collection date2020-10-30
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.9792
Spacegroup nameP 1 21 1
Unit cell lengths54.018, 85.995, 109.339
Unit cell angles90.00, 91.45, 90.00
Refinement procedure
Resolution54.650 - 1.810
R-factor0.2141
Rwork0.213
R-free0.24560
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7u1z 5m2j
RMSD bond length0.007
RMSD bond angle0.939
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.6501.880
High resolution limit [Å]1.8101.810
Number of reflections888278321
<I/σ(I)>11.85
Completeness [%]98.0
Redundancy3.4
CC(1/2)0.9980.702
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2910.2 M Ammonium acetate, 0.1 M Bis-Tris, pH 5.7, 15% PEG 3350

222036

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