6A93
Crystal structure of 5-HT2AR in complex with risperidone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-15 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 277.720, 42.150, 91.940 |
| Unit cell angles | 90.00, 92.55, 90.00 |
Refinement procedure
| Resolution | 46.241 - 3.000 |
| R-factor | 0.2452 |
| Rwork | 0.243 |
| R-free | 0.27470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rh1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.651 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_3150)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.241 | 2.800 |
| High resolution limit [Å] | 2.707 | 2.707 |
| Number of reflections | 29971 | |
| <I/σ(I)> | 6.63 | |
| Completeness [%] | 84.0 | |
| Redundancy | 22.4 | |
| CC(1/2) | 0.993 | 0.677 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 100 mM MES, pH 6.0-6.5, 28-31% (v/v) PEG 400, 120-200 mM Am-formate, 1-2% (v/v) DMSO |
