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2OQI

Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-BM
Synchrotron siteAPS
Beamline17-BM
Temperature [K]100
Detector technologyCCD
DetectorMAR CCD 165 mm
Spacegroup nameP 1 21 1
Unit cell lengths119.294, 127.300, 126.799
Unit cell angles90.00, 96.45, 90.00
Refinement procedure
Resolution50.000 - 2.800
Rwork0.239
R-free0.28400
Structure solution methodMOLECULAR REPLACEMENT
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.900
High resolution limit [Å]2.8006.0302.800
Rmerge0.1000.0610.374
Number of reflections86018
<I/σ(I)>6.8
Completeness [%]89.999.782.4
Redundancy3.13.82.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP298VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

225158

PDB entries from 2024-09-18

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