6TO7
Crystal structure of the Orexin-1 receptor in complex with suvorexant at 2.29 A resolution
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 | 2012-09-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 57.900, 158.470, 183.620 |
| Unit cell angles | 90.00, 95.31, 90.00 |
Refinement procedure
| Resolution | 44.380 - 2.260 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4djh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| 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] | 44.390 | 2.480 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rpim | 0.140 | |
| Number of reflections | 45066 | 902 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 92.9 | 52.4 |
| Redundancy | 5.4 | |
| CC(1/2) | 0.985 | 0.397 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 284 | 0.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400 |
