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6FVZ

Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyPIXEL
Collection date2016-09-20
DetectorDECTRIS PILATUS3 X 2M
Wavelength(s)0.987
Spacegroup nameC 2 2 2
Unit cell lengths131.182, 222.753, 86.482
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.000 - 1.800
R-factor0.16895
Rwork0.168
R-free0.19870
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2v5z
RMSD bond length0.011
RMSD bond angle1.481
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.0001.830
High resolution limit [Å]1.8001.800
Rmerge0.164
Rpim0.102
Number of reflections117061
<I/σ(I)>10.2
Completeness [%]99.4
Redundancy6.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP27712% PEG4000, 100 mM ADA buffer pH 6.5, 70 mM lithium sulphate

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