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8EQE

Co-crystal structure of PERK with compound 26

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyPIXEL
Collection date2019-12-17
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0332
Spacegroup nameP 32 2 1
Unit cell lengths125.342, 125.342, 58.084
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution54.275 - 2.559
Rwork0.224
R-free0.28730
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4x7j
RMSD bond length0.003
RMSD bond angle1.249
Data reduction softwareDIALS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.2752.630
High resolution limit [Å]2.5592.559
Rmerge0.0721.180
Number of reflections172141254
<I/σ(I)>15
Completeness [%]100.0
Redundancy9.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2934% tacsimate pH 7.0 and 12% PEG 3350

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