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8EQ9

Co-crystal structure of PERK with compound 11

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2019-04-22
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.00
Spacegroup nameP 32 2 1
Unit cell lengths126.728, 126.728, 58.769
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution54.875 - 2.860
Rwork0.239
R-free0.27720
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4x7j
RMSD bond length0.004
RMSD bond angle1.303
Data reduction softwareDIALS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.0002.930
High resolution limit [Å]2.8602.860
Rmerge0.1260.696
Number of reflections12802942
<I/σ(I)>8
Completeness [%]100.0
Redundancy9.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP27712% PEG3350, 4% tacsimate pH7.0

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