8ZMF
Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C
This is a non-PDB format compatible entry.
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 | 2022-06-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 88.840, 96.010, 149.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.070 - 3.600 |
| R-factor | 0.2651 |
| Rwork | 0.263 |
| R-free | 0.28540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bqh |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.713 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.070 | 3.830 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rpim | 0.174 | 0.710 |
| Number of reflections | 7692 | 1254 |
| <I/σ(I)> | 7.17 | |
| Completeness [%] | 99.9 | |
| Redundancy | 38 | |
| CC(1/2) | 0.995 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 18-24% PEG300, 40-60 mM ammonium phosphate dibasic |
