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3GSY

Structure of berberine bridge enzyme in complex with dehydroscoulerine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyCCD
Collection date2008-07-18
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.9794
Spacegroup nameP 41 21 2
Unit cell lengths68.940, 68.940, 247.260
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.350 - 1.630
R-factor0.163
Rwork0.162
R-free0.18500
Starting model (for MR)3d2j
RMSD bond length0.012
RMSD bond angle1.095
Data scaling softwareXSCALE
Phasing softwarePHENIX
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.720
High resolution limit [Å]1.6301.630
Number of reflections76019
<I/σ(I)>18.43.4
Completeness [%]99.798.2
Redundancy139.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52980.2 M MgCl2, 30% PEG-4000, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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