8JT8
Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179
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 | 2022-07-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 48.890, 54.030, 177.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.190 - 2.700 |
R-factor | 0.2489 |
Rwork | 0.248 |
R-free | 0.26980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.743 |
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] | 48.890 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rpim | 0.068 | 0.550 |
Number of reflections | 13075 | 1418 |
<I/σ(I)> | 7.9 | 1.3 |
Completeness [%] | 96.0 | 78 |
Redundancy | 25.8 | 19.2 |
CC(1/2) | 0.997 | 0.351 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8 | 293.15 | 100 mM Tris/HCl, 160 mM Potassium fluoride, 30% PEG400 |