3CCB
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 | 2003-08-08 |
| Detector | ADSC |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.086, 123.010, 144.651 |
| Unit cell angles | 90.00, 114.84, 90.00 |
Refinement procedure
| Resolution | 32.800 - 2.490 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.24400 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.239 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.068 | 0.031 | 0.531 |
| Number of reflections | 133909 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 98.9 | 95.5 | 99.4 |
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 |
