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2G5T

Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Detector technologyCCD
DetectorADSC QUANTUM 210
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths65.733, 126.788, 112.292
Unit cell angles90.00, 99.49, 90.00
Refinement procedure
Resolution50.000 - 2.300
Rwork0.190
R-free0.24300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond angle0.006
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
Rmerge0.0760.0510.266
Number of reflections7571682155212
<I/σ(I)>8.4
Completeness [%]93.6
Redundancy3.53.82.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

225158

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