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 |
