6TOT
Crystal structure of the Orexin-1 receptor in complex with lemborexant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.725, 145.715, 71.703 |
| Unit cell angles | 90.00, 112.25, 90.00 |
Refinement procedure
| Resolution | 24.020 - 2.220 |
| R-factor | 0.207 |
| Rwork | 0.206 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6to7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.020 | 2.400 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Number of reflections | 35526 | 711 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 63.9 | 6.1 |
| Redundancy | 3.8 | |
| CC(1/2) | 0.999 | 0.442 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 284 | 0.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400 |
