5I7U
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-04 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.553, 126.545, 137.854 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 93.220 - 1.950 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pnz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data scaling software | SCALA |
| Refinement software | BUSTER-TNT (2.9.4) |
Data quality characteristics
| Inner shell | Outer shell | |
| Low resolution limit [Å] | 137.850 | 2.000 |
| High resolution limit [Å] | 8.700 | 1.950 |
| Rmerge | 0.026 | 0.490 |
| <I/σ(I)> | 32.2 | 3.5 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 5.2 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0 |
