7WC5
Crystal structure of serotonin 2A receptor in complex with psilocin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 50.070, 54.330, 178.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.210 - 3.200 |
| R-factor | 0.234 |
| Rwork | 0.233 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a93 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.805 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.210 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 8348 | 1280 |
| <I/σ(I)> | 4.9 | 1 |
| Completeness [%] | 97.3 | 85.7 |
| Redundancy | 9.2 | 3.2 |
| CC(1/2) | 0.992 | 0.275 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293.15 | 100 mM Tris-HCl, 175 mM sodium acetate trihydrate, 30% (v/v) PEG400, 4% (v/v) Polypropylene glycol P 400 |
