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4UI6

Crystal structure of human tankyrase 2 in complex with TA-47

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2013-02-09
DetectorDECTRIS PIXEL
Spacegroup nameC 2 2 21
Unit cell lengths91.470, 98.350, 119.440
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.210 - 1.800
R-factor0.15534
Rwork0.154
R-free0.18555
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.012
RMSD bond angle1.446
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.850
High resolution limit [Å]1.8001.800
Rmerge0.0900.760
Number of reflections49955
<I/σ(I)>14.72.7
Completeness [%]99.699.8
Redundancy6.87.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.50.2 M LISO4, 0.1 M TRIS HCL, 22% PEG3350, PH 8.5

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