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7G0T

Crystal Structure of human FABP4 in complex with 1-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2012-03-30
DetectorPSI PILATUS 6M
Wavelength(s)0.700010
Spacegroup nameP 21 21 21
Unit cell lengths35.599, 54.690, 73.636
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution36.810 - 1.650
R-factor0.2066
Rwork0.205
R-free0.24230
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)inhouse model
RMSD bond length0.016
RMSD bond angle1.896
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0018)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]36.82036.8101.690
High resolution limit [Å]1.6507.3801.650
Rmerge0.0700.0311.321
Rmeas0.0750.0351.484
Total number of observations79470
Number of reflections160662491090
<I/σ(I)>11.3935.451.32
Completeness [%]89.398.882.8
Redundancy4.465.3944.363
CC(1/2)0.9980.9990.490
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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