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9FVH

Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer JS17

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2023-09-16
DetectorDECTRIS EIGER2 X 9M
Wavelength(s)0.873129
Spacegroup nameC 2 2 21
Unit cell lengths82.100, 112.402, 62.433
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution66.300 - 1.450
R-factor0.14873
Rwork0.147
R-free0.17593
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.380
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (REFMAC5)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]66.3001.470
High resolution limit [Å]1.4501.450
Number of reflections514582506
<I/σ(I)>24.9
Completeness [%]100.0
Redundancy14
CC(1/2)0.9990.947
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP27710mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked

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