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2YPU

human insulin degrading enzyme E111Q in complex with inhibitor compound 41367

Replaces:  2YB3
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]77
Detector technologyCCD
DetectorADSC QUANTUM 315
Spacegroup nameP 65
Unit cell lengths262.288, 262.288, 90.630
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 2.800
R-factor0.17522
Rwork0.173
R-free0.22548
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3cww
RMSD bond length0.022
RMSD bond angle1.950
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.900
High resolution limit [Å]2.8002.800
Rmerge0.1100.340
Number of reflections82996
<I/σ(I)>13.52
Completeness [%]98.499.4
Redundancy3.73.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

219869

PDB entries from 2024-05-15

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