6TOS
Crystal structure of the Orexin-1 receptor in complex with GSK1059865
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 | 2015-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98658 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.692, 146.190, 71.508 |
| Unit cell angles | 90.00, 112.43, 90.00 |
Refinement procedure
| Resolution | 30.470 - 2.130 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6to7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| 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] | 30.470 | 2.250 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Number of reflections | 44881 | 898 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 71.1 | 9.19 |
| Redundancy | 3.3 | |
| CC(1/2) | 0.990 | 0.338 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 284 | 0.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400 |
