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5Q1A

Ligand binding to FARNESOID-X-RECEPTOR

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyCCD
Collection date2006-12-22
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.0
Spacegroup nameC 2 2 21
Unit cell lengths72.326, 83.861, 188.991
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.550 - 2.000
R-factor0.208
Rwork0.206
R-free0.23500
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.010
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwareBUSTER (2.10.3)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.0002.060
High resolution limit [Å]1.9601.960
Rmerge0.0760.269
Number of reflections31092
<I/σ(I)>11.84
Completeness [%]77.118.9
Redundancy3.330.33
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1evaporation, hanging drop6.52980.1 M Bis-Tris pH 6.5, 20% w/v PEG MME 5000

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