2G5T
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.733, 126.788, 112.292 |
Unit cell angles | 90.00, 99.49, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
Rwork | 0.190 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond angle | 0.006 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.076 | 0.051 | 0.266 |
Number of reflections | 75716 | 8215 | 5212 |
<I/σ(I)> | 8.4 | ||
Completeness [%] | 93.6 | ||
Redundancy | 3.5 | 3.8 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |