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7QHW

TTBK1 kinase domain in complex with inhibitor 29

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALBA BEAMLINE XALOC
Synchrotron siteALBA
BeamlineXALOC
Temperature [K]100
Detector technologyPIXEL
Collection date2021-04-21
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.979
Spacegroup nameC 1 2 1
Unit cell lengths126.120, 108.463, 110.314
Unit cell angles90.00, 94.51, 90.00
Refinement procedure
Resolution48.686 - 2.800
Rwork0.200
R-free0.22850
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4btm
RMSD bond length0.003
RMSD bond angle0.988
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.6902.873
High resolution limit [Å]2.8002.800
Number of reflections363932552
<I/σ(I)>5
Completeness [%]99.599.78
Redundancy3.4
CC(1/2)0.9920.441
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.629327% PEG 4000, 200mM NH4SO4, 100 mM Na Citrate pH5.6 and 10 mM TCEP

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