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4DM6

Crystal structure of RARb LBD homodimer in complex with TTNPB

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]200
Detector technologyCCD
Collection date2004-10-10
DetectorADSC QUANTUM 4
Wavelength(s)1.0093
Spacegroup nameP 21 21 21
Unit cell lengths58.090, 84.060, 102.140
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.206
Rwork0.206
R-free0.23900
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.080
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0001.970
High resolution limit [Å]1.9001.900
Number of reflections39762
Completeness [%]98.4100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.62905% polyethylene glycol 8000, 0.2 M KCl, 0.01 M MgCl2 and 0.05 M MES, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 5.6

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