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3I9O

Crystal structure of ADP ribosyl cyclase complexed with ribo-2'F-ADP ribose

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE A1
Synchrotron siteCHESS
BeamlineA1
Temperature [K]100
Detector technologyCCD
Collection date2008-12-09
DetectorADSC QUANTUM 210
Wavelength(s)0.9789
Spacegroup nameP 61
Unit cell lengths56.726, 56.726, 360.333
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution47.400 - 3.000
R-factor0.22322
Rwork0.221
R-free0.26801
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1lbe
RMSD bond length0.019
RMSD bond angle1.980
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.4.0067)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.110
High resolution limit [Å]3.0003.000
Number of reflections12475
Completeness [%]95.3100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52980.1 M imidazole, pH 7.5, 12-24% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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