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1SE6

Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]200
Detector technologyCCD
Collection date2003-03-18
DetectorBRUKER PROTEUM 300
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths59.554, 79.206, 87.430
Unit cell angles90.00, 92.26, 90.00
Refinement procedure
Resolution35.900 - 1.750
R-factor0.234
Rwork0.234
R-free0.26800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1s1f
RMSD bond length0.006
RMSD bond angle1.600
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.9001.800
High resolution limit [Å]1.7501.750
Rmerge0.0580.180
Number of reflections73147
<I/σ(I)>21.86.5
Completeness [%]89.292.4
Redundancy18.65.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5295PEG 2000 monomethylether, tetrahydrocloride spermine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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