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9ETD

Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with ursodeoxycholic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2022-05-13
DetectorDECTRIS EIGER2 X 16M
Wavelength(s)0.97949
Spacegroup nameP 1 21 1
Unit cell lengths36.335, 60.631, 61.672
Unit cell angles90.00, 95.90, 90.00
Refinement procedure
Resolution61.340 - 2.300
R-factor0.22365
Rwork0.220
R-free0.27956
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.586
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]61.3402.420
High resolution limit [Å]2.3002.300
Rmerge0.0450.687
Rmeas0.0480.740
Rpim0.0180.273
Number of reflections119711755
<I/σ(I)>17.72.4
Completeness [%]100.0100
Redundancy7
CC(1/2)1.0000.892
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.528112% wt/vol PEG-3500 and 100 mM sodium formate, pH 7.50

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