3O95
Crystal Structure of Human DPP4 Bound to TAK-100
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 92 |
| Detector technology | CCD |
| Collection date | 2007-03-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 121.718, 123.335, 144.419 |
| Unit cell angles | 90.00, 114.78, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.850 |
| R-factor | 0.1901 |
| Rwork | 0.187 |
| R-free | 0.24850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.237 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.850 | 7.460 | 2.850 |
| Rmerge | 0.106 | 0.032 | 0.510 |
| Number of reflections | 89585 | ||
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 99.3 | 99.9 | 92.4 |
| Redundancy | 3.3 | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
