3O9V
Crystal Structure of Human DPP4 Bound to TAK-986
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 92 |
| Detector technology | CCD |
| Collection date | 2007-03-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.166, 122.886, 144.909 |
| Unit cell angles | 90.00, 114.59, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.750 |
| R-factor | 0.20619 |
| Rwork | 0.203 |
| R-free | 0.25961 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r9m |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.222 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
| Rmerge | 0.087 | 0.030 | 0.514 |
| Number of reflections | 100525 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 98.9 | 99.4 | 98.6 |
| Redundancy | 3.2 | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop, vapor diffusion | 277 | 20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, sitting drop, vapor diffusion, temperature 277K |
