2I03
Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.252, 126.994, 127.257 |
| Unit cell angles | 90.00, 96.56, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| Rwork | 0.179 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.116 | 0.077 | 0.452 |
| Number of reflections | 143995 | ||
| <I/σ(I)> | 5.1 | ||
| Completeness [%] | 97.3 | 98.1 | 95.9 |
| Redundancy | 3.4 | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | VAPOR DIFFUSION |
