7DFP
Human dopamine D2 receptor in complex with spiperone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2017-02-14 |
| Detector | MPCCD |
| Wavelength(s) | 1.77 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.900, 40.500, 165.900 |
| Unit cell angles | 90.00, 116.50, 90.00 |
Refinement procedure
| Resolution | 43.120 - 3.100 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D3R (PDB ID: 3PBL) |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.567 |
| Data reduction software | CrystFEL (0.6.2) |
| Data scaling software | CrystFEL (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.120 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 18069 | 1757 |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 99.8 | |
| CC(1/2) | 0.970 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 293 | 0.1M Tris-HCl pH 8.0, 0.1M Lithium acetate dihydrate, 30% (V/V) polyethylene glycol 400, 5% (v/v) dimethyl sulfoxide, 0.01M Adenosine triphosphate, 1mM spiperone |
