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5CLP

Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2013-10-07
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9762
Spacegroup nameC 2 2 21
Unit cell lengths65.038, 69.025, 334.347
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution167.170 - 1.684
R-factor0.1785
Rwork0.178
R-free0.19330
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3war
RMSD bond length0.010
RMSD bond angle0.880
Data reduction softwareXDS
Data scaling softwareAimless (0.2.14)
Phasing softwarePHASER
Refinement softwareBUSTER-TNT
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]167.1701.689
High resolution limit [Å]1.6841.684
Rmerge0.0770.877
Rpim0.0330.311
Total number of observations56427082905
Number of reflections85744
<I/σ(I)>14.32.2
Completeness [%]100.0100
Redundancy6.66.3
CC(1/2)0.9980.841
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5298107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate

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