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2DVI

Complex structure of CCA-adding enzyme, mini-DCC and CTP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]100
Detector technologyCCD
Collection date2005-05-17
DetectorADSC QUANTUM 315
Wavelength(s)1
Spacegroup nameP 43 21 2
Unit cell lengths58.004, 58.004, 431.498
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution9.990 - 2.610
R-factor0.207
Rwork0.207
R-free0.25200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2dr9
RMSD bond length0.006
RMSD bond angle1.200
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.640
High resolution limit [Å]2.6002.600
Number of reflections23070
Completeness [%]96.195.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.529350mM HEPES, 20% PEG 3550, 0.2M Tri-Lithium citrate, 80mM (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, temperature 293K
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111HEPES
1012water
211PEG 3550
311Tri-lithium citrate
411ammonium sulphate
511water
612HEPES
712PEG 3550
812Tri-lithium citrate
912ammonium sulphate

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