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1U0V

An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization of Specificity of Type III Polyketide Synthases: 18xCHS structure

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-3
Synchrotron siteESRF
BeamlineID14-3
Temperature [K]100
Detector technologyCCD
Collection date2000-11-29
DetectorMAR CCD 165 mm
Wavelength(s)0.931
Spacegroup nameP 1 21 1
Unit cell lengths71.638, 59.753, 82.539
Unit cell angles90.00, 108.17, 90.00
Refinement procedure
Resolution24.930 - 1.900
R-factor0.192
Rwork0.192
R-free0.22700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bi5
RMSD bond length0.006
RMSD bond angle1.300
Data scaling softwareXDS
Phasing softwareEPMR
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.9302.000
High resolution limit [Å]1.9001.900
Number of reflections52432
Completeness [%]100.0100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5277PEG 8000, ammonium acetate, HEPES-Na+ buffer, ethylene glycol, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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