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3ZRL

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyCCD
DetectorADSC QUANTUM 315r
Spacegroup nameH 3 2
Unit cell lengths153.231, 153.231, 201.729
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 2.480
R-factor0.18789
Rwork0.185
R-free0.24916
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1gng
RMSD bond length0.010
RMSD bond angle1.289
Refinement softwareREFMAC (5.3.0006)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.520
High resolution limit [Å]2.4802.480
Rmerge0.0800.430
Number of reflections31542
<I/σ(I)>23.44.92
Completeness [%]97.499.2
Redundancy7.16.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

226707

PDB entries from 2024-10-30

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