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4DTH

Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mg++

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSOLEIL BEAMLINE PROXIMA 1
Synchrotron siteSOLEIL
BeamlinePROXIMA 1
Temperature [K]100
Detector technologyPIXEL
Collection date2012-02-04
DetectorPSI PILATUS 6M
Spacegroup nameP 43 2 2
Unit cell lengths128.680, 128.680, 76.820
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.060 - 1.780
R-factor0.181
Rwork0.181
R-free0.19200
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.010
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareBUSTER (2.11.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.820
High resolution limit [Å]1.7801.780
Rmerge0.0410.514
Number of reflections62298
<I/σ(I)>26.53.6
Completeness [%]100.099.6
Redundancy6.46.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.3293mixing 300 nL of protein at 13mg/mL with 100 nL of 2.4 M AmSO4, 0.1 M Bi-Tris pH 6,3. , VAPOR DIFFUSION, SITTING DROP, temperature 293K

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