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7G13

Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 4-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-5-carboxylic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2012-06-04
DetectorPSI PILATUS 6M
Wavelength(s)1.000000
Spacegroup nameP 2 21 21
Unit cell lengths32.141, 53.024, 72.169
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.730 - 1.150
R-factor0.1599
Rwork0.158
R-free0.19810
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)inhouse model
RMSD bond length0.020
RMSD bond angle2.283
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0025)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]42.73042.7301.180
High resolution limit [Å]1.1505.1401.150
Rmerge0.0930.0311.376
Rmeas0.1170.0341.506
Total number of observations269199
Number of reflections442005953111
<I/σ(I)>10.4944.421.38
Completeness [%]98.999.296
Redundancy6.035.9036.018
CC(1/2)0.9980.9990.494
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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