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3AMY

Crystal structure of human CK2 alpha complexed with apigenin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-09-01
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.54178
Spacegroup nameP 21 21 21
Unit cell lengths48.630, 73.030, 77.390
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution23.220 - 2.300
R-factor0.26896
Rwork0.267
R-free0.34029
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2zjw
RMSD bond length0.007
RMSD bond angle1.009
Data reduction softwareCrystalClear
Data scaling softwareCrystalClear
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0072)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.1802.380
High resolution limit [Å]2.3002.300
Total number of observations85536
Number of reflections12614
Completeness [%]98.898.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.529525% ethylene glycol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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