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3W7C

Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-077

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL44XU
Synchrotron siteSPring-8
BeamlineBL44XU
Temperature [K]77
Detector technologyCCD
Collection date2009-11-20
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.9
Spacegroup nameP 21 21 21
Unit cell lengths68.016, 71.599, 129.440
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.030 - 1.750
R-factor0.1441
Rwork0.141
R-free0.19470
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3w6y
RMSD bond length0.019
RMSD bond angle1.968
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.780
High resolution limit [Å]1.7504.7501.750
Rmerge0.0720.0340.408
Number of reflections49701
<I/σ(I)>12.54.23
Completeness [%]76.687.677.2
Redundancy4.46.14
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.22770.1M Cacodylate, 13% PEG3350, 0.05M Hexaamminecobalt (III) Chloride, 1mM Oxonate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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