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3O7U

Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with zinc and phosphono-cytosine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X4A
Synchrotron siteNSLS
BeamlineX4A
Temperature [K]100
Detector technologyCCD
Collection date2009-10-22
DetectorADSC QUANTUM 4
Wavelength(s)0.97915
Spacegroup nameH 3 2
Unit cell lengths145.212, 145.212, 200.609
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution39.208 - 1.708
R-factor0.1741
Rwork0.173
R-free0.19310
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1k6w
RMSD bond length0.007
RMSD bond angle1.017
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareBALBES
Refinement softwarePHENIX ((phenix.refine: 1.5_2))
Data quality characteristics
 Overall
Low resolution limit [Å]39.208
High resolution limit [Å]1.708
Number of reflections86951
Completeness [%]98.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.529335% Pentaerythritol Propoxylate, 0.05M Hepes, 0.2M Potassium Chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

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