6Z8N
Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist SRI-9829
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999998 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.665, 213.971, 94.052 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.595 - 2.803 |
| Rwork | 0.277 |
| R-free | 0.29860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yvr |
| RMSD bond length | 0.001 |
| RMSD bond angle | 1.169 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.595 | 3.127 |
| High resolution limit [Å] | 2.803 | 2.803 |
| Rmerge | 0.208 | 1.866 |
| Rmeas | 0.232 | 2.050 |
| Rpim | 0.099 | 0.820 |
| Number of reflections | 13189 | 660 |
| <I/σ(I)> | 5.1 | 1.4 |
| Completeness [%] | 90.4 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.982 | 0.320 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.8 | 293.15 | 100 mM HEPES 370-520 mM Na citrate 32% (v/v) PEG400 10 uM SRI-9829 |
