5WS3
Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2015-04-03 |
| Detector | MPCCD |
| Wavelength(s) | 1.77 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.510, 75.980, 96.100 |
| Unit cell angles | 90.00, 112.30, 90.00 |
Refinement procedure
| Resolution | 45.109 - 2.300 |
| R-factor | 0.1999 |
| Rwork | 0.199 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s0v |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.714 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((dev_2747: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 28958 | |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 100.0 | 98.4 |
| Redundancy | 77.6 | 7.2 |
| CC(1/2) | 0.980 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | 0.1M MES, 0.1M sodium malonate, 27-30% PEG 300, pH 6.0 |
