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2IUV

CRYSTAL STRUCTURE OF N-QUINOL FORM OF AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS, FORM B

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-1
Synchrotron siteESRF
BeamlineID14-1
Temperature [K]100
Detector technologyCCD
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths89.838, 96.296, 118.899
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 1.550
R-factor0.157
Rwork0.155
R-free0.19000
Structure solution methodOTHER
RMSD bond length0.011
RMSD bond angle1.198
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC (5.1.9999)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.610
High resolution limit [Å]1.5501.550
Rmerge0.0800.310
Number of reflections134309
<I/σ(I)>14.12.6
Completeness [%]89.074
Redundancy3.62.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6292PEG 2000 MME, AMMONIUM SULPHATE, SODIUM CACODYLATE, PH 6.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 292K

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