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3KG9

Dehydratase domain from CurK module of Curacin polyketide synthase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2009-04-06
DetectorMARMOSAIC 300 mm CCD
Spacegroup nameP 21 21 21
Unit cell lengths38.122, 94.301, 150.989
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.770 - 1.700
R-factor0.184
Rwork0.182
R-free0.21700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3kg7
RMSD bond length0.008
RMSD bond angle1.121
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.760
High resolution limit [Å]1.7001.700
Rmerge0.0720.656
Number of reflections59477
<I/σ(I)>20.12.3
Completeness [%]98.085.8
Redundancy6.85.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.52931.3 M tri-sodium citrate, 30 mM (D)+sucrose, 100 mM tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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