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2DKE

Crystal structure of substrate-free form of PcyA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL38B1
Synchrotron siteSPring-8
BeamlineBL38B1
Temperature [K]100
Detector technologyCCD
Collection date2005-10-25
DetectorRIGAKU JUPITER 210
Wavelength(s)1.0000
Spacegroup nameP 43 21 2
Unit cell lengths75.980, 75.980, 84.970
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.500
R-factor0.2479
Rwork0.243
R-free0.29900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2d1e
RMSD bond length0.008
RMSD bond angle1.510
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.590
High resolution limit [Å]2.5002.500
Number of reflections8997
Completeness [%]97.698.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5298AMMONIUM SULFATE, PEG 400, HEPES-NAOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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