7WC8
Crystal structure of serotonin 2A receptor in complex with lumateperone
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 | 2021-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 49.470, 55.330, 179.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.700 - 2.450 |
| R-factor | 0.2197 |
| Rwork | 0.218 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a93 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.570 |
| 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] | 47.700 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 18848 | 1967 |
| <I/σ(I)> | 10.8 | 1.1 |
| Completeness [%] | 99.3 | 94.1 |
| Redundancy | 25.3 | 6.6 |
| CC(1/2) | 0.988 | 0.422 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 293.15 | 100 mM Tris-HCl, 160 mM Potassium fluoride, 30% (v/v) PEG400 |
