21CI
Crystal structure of human orexin type 2 receptor in complex with vornorexant
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-12 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.460, 90.880, 111.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.580 - 3.290 |
| R-factor | 0.24562 |
| Rwork | 0.243 |
| R-free | 0.29529 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xrr |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.471 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP (11.9.02) |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.460 | 3.490 |
| High resolution limit [Å] | 3.290 | 3.290 |
| Number of reflections | 8106 | 1276 |
| <I/σ(I)> | 10.91 | |
| Completeness [%] | 99.9 | |
| Redundancy | 75.8 | |
| CC(1/2) | 0.990 | 0.552 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7.5 | 293 | 0.15 mol/L Ammonium sulfate 0.1 mol/L HEPES pH7.5 10% v/v PEG 400 |
