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1S26

Structure of Anthrax Edema Factor-Calmodulin-alpha,beta-methyleneadenosine 5'-triphosphate Complex Reveals an Alternative Mode of ATP Binding to the Catalytic Site

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X25
Synchrotron siteNSLS
BeamlineX25
Temperature [K]100
Detector technologyCCD
Collection date2001-03-03
DetectorADSC QUANTUM 4
Spacegroup nameI 2 2 2
Unit cell lengths117.555, 167.605, 345.346
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.780 - 3.000
R-factor0.264
Rwork0.264
R-free0.30400
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)EF-CAM ALONE STRUCTURE
RMSD bond length0.009
RMSD bond angle1.500
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0003.110
High resolution limit [Å]3.0003.000
Rmerge0.0610.266
Number of reflections69876
<I/σ(I)>18.54.1
Completeness [%]99.198.1
Redundancy5.15.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5277PEG 8000, Ammonium Sulfate, Glycerol, cacodylate, pH 6.5, temperature 277K, VAPOR DIFFUSION, HANGING DROP

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