6LUQ
Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-10-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.433, 72.820, 150.269 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.386 - 3.100 |
| Rwork | 0.215 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cm4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.275 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.200 | 1.130 |
| Number of reflections | 10160 | 1028 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 93.1 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 100 mM Tris/HCl pH 7.5, 150 mM sodium malonate, 30% PEG400 |
