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4WVD

Identification of a novel FXR ligand that regulates metabolism

Replaces:  4II6
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2012-05-09
DetectorADSC QUANTUM 315r
Wavelength(s)1.0050
Spacegroup nameI 21 21 21
Unit cell lengths53.008, 161.759, 169.018
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.900
R-factor0.27872
Rwork0.277
R-free0.30221
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.730
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.340
High resolution limit [Å]2.3002.300
Rmerge0.1040.770
Number of reflections20898
<I/σ(I)>10.4
Completeness [%]64.1
Redundancy7.51
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7293.1550mM HEPES pH7.0, 3.5M sodium formate

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