9EFB
Chemical inhibition of the N-acetyltaurine amidohydrolase PTER reduces food intake and obesity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.019, 48.962, 85.302 |
| Unit cell angles | 90.00, 98.63, 90.00 |
Refinement procedure
| Resolution | 42.216 - 2.400 |
| Rwork | 0.182 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.543 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.330 | 5.640 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rpim | 0.169 | |
| Number of reflections | 39356 | 1754 |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 94.3 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.319 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 300mM MgCl2, 100mM Tris pH 8.5, and 20%PEG-8k |
