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5H04

Crystal structure of an ADP-ribosylating toxin BECa of a novel binary enterotoxin of C. perfringens with NADH

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]100
Detector technologyCCD
Collection date2015-01-28
DetectorRIGAKU SATURN A200
Wavelength(s)1.0000
Spacegroup nameI 2 2 2
Unit cell lengths70.337, 102.815, 125.033
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.651 - 1.825
R-factor0.1808
Rwork0.179
R-free0.21770
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5h03
RMSD bond length0.007
RMSD bond angle0.827
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.850
High resolution limit [Å]1.8204.9401.820
Rmerge0.0730.0480.377
Number of reflections40199
<I/σ(I)>19.6
Completeness [%]99.898.2100
Redundancy76.87.3
CC(1/2)0.9960.967
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.8293100 mM Tris-HCl, 450 mM Magunesium chloride, 23% PEG 4000

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