2OQI
Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 119.294, 127.300, 126.799 |
| Unit cell angles | 90.00, 96.45, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| Rwork | 0.239 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.100 | 0.061 | 0.374 |
| Number of reflections | 86018 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 89.9 | 99.7 | 82.4 |
| Redundancy | 3.1 | 3.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
