7WC9
Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog
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 | 2021-06-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 49.530, 54.950, 179.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.800 - 2.500 |
| R-factor | 0.2451 |
| Rwork | 0.244 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a93 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.493 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 21037 | 1967 |
| <I/σ(I)> | 9.9 | 0.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 25.1 | 10.7 |
| CC(1/2) | 1.000 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293.15 | 100 mM Tris-HCl, 40 mM sodium acetate trihydrate, 30% (v/v) PEG400, 2% (v/v) Polypropylene glycol P 400 |
