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1S1F

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

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]200
Detector technologyCCD
Collection date2002-10-26
DetectorBRUKER PROTEUM 300
Wavelength(s)0.9975,1.0055,1.0090
Spacegroup nameP 21 21 21
Unit cell lengths54.250, 65.553, 104.245
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.260 - 1.500
R-factor0.203
Rwork0.202
R-free0.21600
Structure solution methodcombination with MAD phase and SIR phase
RMSD bond length0.007
RMSD bond angle1.200
Data scaling softwareSCALEPACK
Phasing softwareSOLVE (V. 2.03)
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.2601.550
High resolution limit [Å]1.5001.500
Rmerge0.0670.630
Number of reflections55989
<I/σ(I)>27.61.5
Completeness [%]92.585.5
Redundancy25.85.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6295sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1VAPOR DIFFUSION, HANGING DROP6295sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1VAPOR DIFFUSION, HANGING DROP6295sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1VAPOR DIFFUSION, HANGING DROP6295sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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