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2OAG

Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained phenethylamine 29g

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 32-ID
Synchrotron siteAPS
Beamline32-ID
Detector technologyCCD
DetectorMAR CCD 165 mm
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths120.006, 126.225, 127.563
Unit cell angles90.00, 96.51, 90.00
Refinement procedure
Resolution50.000 - 2.300
Rwork0.197
R-free0.24000
Structure solution methodMOLECULAR REPLACEMENT
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.380
High resolution limit [Å]2.3004.9502.300
Rmerge0.1080.0590.491
Number of reflections163600
<I/σ(I)>6.5
Completeness [%]97.699.792.3
Redundancy3.53.83
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROPVAPOR DIFFUSION, HANGING DROP

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PDB entries from 2024-09-18

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