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3Q9Y

Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 8.5

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 5.2R
Synchrotron siteELETTRA
Beamline5.2R
Temperature [K]100
Detector technologyCCD
Collection date2008-09-19
DetectorMAR CCD 165 mm
Wavelength(s)1.2
Spacegroup nameP 1 21 1
Unit cell lengths58.664, 45.910, 63.628
Unit cell angles90.00, 111.89, 90.00
Refinement procedure
Resolution35.100 - 1.800
R-factor0.1867
Rwork0.184
R-free0.24090
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2pvr
RMSD bond length0.024
RMSD bond angle1.867
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.2.25)
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]54.47054.4731.880
High resolution limit [Å]1.7805.6301.780
Rmerge0.0910.0450.500
Rmeas0.0540.609
Rpim0.0300.342
Total number of observations33407893
Number of reflections27533
<I/σ(I)>12.734.21.8
Completeness [%]91.297.162.4
Redundancy3.53.42.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.529330% PEG 4000, 0.2M lithium sulfate, 0.1M TrisHCl, pH 8.5, vapor diffusion, sitting drop, temperature 293K

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