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7FXU

Crystal Structure of human FABP4 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2012-02-19
DetectorPSI PILATUS 6M
Wavelength(s)0.700010
Spacegroup nameP 21 21 21
Unit cell lengths35.123, 54.986, 74.013
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution37.010 - 1.960
R-factor0.1941
Rwork0.190
R-free0.27410
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)inhouse model
RMSD bond length0.009
RMSD bond angle1.387
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0018)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]37.01037.0102.010
High resolution limit [Å]1.9608.7701.960
Rmerge0.1930.0461.373
Rmeas0.2010.0511.503
Total number of observations66780
Number of reflections10815157763
<I/σ(I)>6.6625.291.24
Completeness [%]99.998.1100
Redundancy6.215.0456.045
CC(1/2)0.9950.9980.511
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7293protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368

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