7ZXS
Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 88.350, 106.176, 121.127 |
| Unit cell angles | 65.25, 70.43, 75.86 |
Refinement procedure
| Resolution | 106.090 - 1.810 |
| R-factor | 0.1754 |
| Rwork | 0.175 |
| R-free | 0.20310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eor |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.357 |
| Data reduction software | X-GEN |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.900 | 1.955 |
| High resolution limit [Å] | 1.807 | 1.807 |
| Rmerge | 0.048 | 0.459 |
| Number of reflections | 220955 | 11048 |
| <I/σ(I)> | 5.4 | 1.6 |
| Completeness [%] | 64.6 | 15.4 |
| Redundancy | 2.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | The crystal is grown in a condition containing PEG 2K MME buffered by Tris pH 7 |
