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4DQ4

Bovine beta-lactoglobulin complex with linoleic acid

Replaces:  3QZK
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]110
Detector technologyCCD
Collection date2009-11-05
DetectorAGILENT ATLAS CCD
Wavelength(s)1.54
Spacegroup nameP 32 2 1
Unit cell lengths53.330, 53.330, 111.530
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution13.350 - 2.100
R-factor0.22806
Rwork0.221
R-free0.28966
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bsy
RMSD bond length0.010
RMSD bond angle1.333
Data reduction softwareCrysalisPro
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]13.3502.210
High resolution limit [Å]2.1002.100
Rmerge0.0440.099
Number of reflections11101
<I/σ(I)>10.33.8
Completeness [%]98.697.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52930.1M Tris-HCl buffer, 1.34M tri-sodium citrate, 1mM linoleic acid in ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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