9EFA
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 | 2024-08-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.877, 48.403, 83.230 |
| Unit cell angles | 90.00, 96.98, 90.00 |
Refinement procedure
| Resolution | 31.117 - 2.800 |
| Rwork | 0.207 |
| R-free | 0.28120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.597 |
| 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] | 31.330 | 6.600 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rpim | 0.164 | 0.991 |
| Number of reflections | 24168 | 1182 |
| <I/σ(I)> | 4.3 | |
| Completeness [%] | 97.5 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.172 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 200mM MgCl2, 100mM Tris pH 8.5, and 20%PEG-8k |
