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1UE8

Crystal Structure of Thermophilic Cytochrome P450 from Sulfolobus tokodaii

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-18B
Synchrotron sitePhoton Factory
BeamlineBL-18B
Temperature [K]100
Detector technologyCCD
Collection date2002-06-10
DetectorADSC QUANTUM 4
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths53.554, 55.130, 130.818
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution36.860 - 3.000
R-factor0.196
Rwork0.196
R-free0.23600
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle2.700
Data scaling softwareCCP4 ((SCALA))
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.8603.160
High resolution limit [Å]3.0003.000
Rmerge0.110
Number of reflections7519
<I/σ(I)>6.6
Completeness [%]93.092.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.529830% (w/v) PEG 4000, 200mM lithium sulfate monohydrate, 100mM tris-hydrochrolide, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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