3CCC
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Detector technology | CCD |
| Collection date | 2004-10-02 |
| Detector | ADSC |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 121.899, 121.958, 144.275 |
| Unit cell angles | 90.00, 114.94, 90.00 |
Refinement procedure
| Resolution | 46.130 - 2.710 |
| R-factor | 0.204 |
| Rwork | 0.200 |
| R-free | 0.26700 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.263 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 5.920 | 2.750 |
| Rmerge | 0.074 | 0.034 | 0.567 |
| Number of reflections | 94607 | ||
| <I/σ(I)> | 10.2 | ||
| Completeness [%] | 92.5 | 96.8 | 90.1 |
| Redundancy | 2.2 | 2.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 22.5% PEG 2000mme, 0.1M Bicine, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
