6Z4Q
Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A
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 | 2018-09-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999998 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.924, 36.845, 90.288 |
| Unit cell angles | 90.00, 113.65, 90.00 |
Refinement procedure
| Resolution | 28.307 - 2.923 |
| Rwork | 0.281 |
| R-free | 0.30690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yvr |
| RMSD bond length | 0.001 |
| RMSD bond angle | 1.186 |
| 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] | 28.307 | 3.324 |
| High resolution limit [Å] | 2.923 | 2.923 |
| Rmerge | 0.202 | 2.099 |
| Rmeas | 0.225 | 2.287 |
| Rpim | 0.097 | 0.895 |
| Number of reflections | 8671 | 434 |
| <I/σ(I)> | 4.7 | 1.5 |
| Completeness [%] | 78.2 | 23.9 |
| Redundancy | 4.7 | 6.4 |
| CC(1/2) | 0.989 | 0.484 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.5 | 293.15 | 100 mM Bis-Tris 400 mM K citrate 30% (v/v) PEG400 10 uM SR142948A |
