2G63
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.128, 126.502, 127.374 |
| Unit cell angles | 90.00, 96.66, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.215 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.360 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
| Rmerge | 0.121 | 0.077 | 0.918 |
| Number of reflections | 351902 | 36707 | 22928 |
| <I/σ(I)> | 5.3 | ||
| Completeness [%] | 96.0 | ||
| Redundancy | 3.6 | 3.6 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
