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5D4A

Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL32B2
Synchrotron siteSPring-8
BeamlineBL32B2
Temperature [K]100
Detector technologyCCD
Collection date2011-05-18
DetectorRIGAKU JUPITER 210
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths32.161, 53.719, 74.291
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.530 - 1.700
R-factor0.187
Rwork0.185
R-free0.22300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2hnx
RMSD bond length0.025
RMSD bond angle2.478
Data scaling softwareSCALEPACK
Phasing softwareMOLREP (10.2.35)
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.660
High resolution limit [Å]1.6003.4501.600
Rmerge0.0640.0390.325
Total number of observations106879
Number of reflections16778
<I/σ(I)>15.3
Completeness [%]95.298.783.4
Redundancy6.46.75
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2962.4 M NaH2PO4/K2HPO4

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