4S0V
Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant
Replaces: 4RNBExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.358, 75.819, 96.335 |
| Unit cell angles | 90.00, 111.71, 90.00 |
Refinement procedure
| Resolution | 43.717 - 2.500 |
| R-factor | 0.1972 |
| Rwork | 0.197 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 4DKL and 2BFW |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.745 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 22305 | |
| Completeness [%] | 100.0 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Lipidic Cubic Phase (LCP) | 5.9 | 293 | 31% PEG 400, 0.1 M sodium citrate, 0.2 M sodium formate, 3%(w/v) hexanediol, pH 5.9, Lipidic Cubic Phase (LCP), temperature 293K |
