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3PH6

Bovine beta lactoglobulin crytsallized through ligandation of yttrium

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2009-06-24
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths41.060, 63.710, 134.160
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.640 - 2.530
R-factor0.21722
Rwork0.216
R-free0.26520
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.023
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwareREFMAC (5.5.0110)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.580
High resolution limit [Å]2.5202.520
Rmerge0.0970.650
Number of reflections214581522
<I/σ(I)>173
Completeness [%]95.092.4
Redundancy7.76.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Batch crystallization72770.3 mM Yttrium, pH 7, Batch crystallization, temperature 277K

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