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 |