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8OED

Aspergillus niger ferulic acid decarboxylase (Fdc) S145C-P289C (DB2) variant in complex with prenylated flavin hydroxylated at the C1 prime position

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2021-09-11
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.9763
Spacegroup nameP 21 21 2
Unit cell lengths95.879, 63.995, 87.708
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution87.710 - 1.370
R-factor0.15152
Rwork0.151
R-free0.16600
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.748
Data reduction softwareautoPROC
Data scaling softwareautoPROC
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]87.7101.390
High resolution limit [Å]1.3701.370
Number of reflections14582314387
<I/σ(I)>10.9
Completeness [%]98.0
Redundancy12.9
CC(1/2)1.0000.300
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5277BIS-TRIS propane, potassium thiocyanate, PEG 3350

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