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3NS1

Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Detector technologyCCD
Collection date2008-10-14
DetectorMAR CCD 165 mm
Wavelength(s)0.9793
Spacegroup nameP 1 21 1
Unit cell lengths134.636, 73.928, 140.353
Unit cell angles90.00, 97.01, 90.00
Refinement procedure
Resolution45.500 - 2.600
R-factor0.2195
Rwork0.217
R-free0.26910
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.016
RMSD bond angle1.682
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP (CCP4)
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.5002.668
High resolution limit [Å]2.6002.600
Number of reflections78350
<I/σ(I)>7.5
Completeness [%]92.492.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1sitting batch7298PEG 8000, pH 7.0, sitting batch, temperature 298K

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