3PBL
Structure of the human dopamine D3 receptor in complex with eticlopride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0330 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.828, 92.492, 176.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.450 - 2.890 |
| R-factor | 0.2447 |
| Rwork | 0.243 |
| R-free | 0.27160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rh1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.114 | 0.665 |
| Number of reflections | 26229 | |
| <I/σ(I)> | 9.2 | 0.8 |
| Completeness [%] | 78.5 | 32.1 |
| Redundancy | 7.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7.5 | 293 | Lipidic cubic phase made of monoolein and 10% cholesterol, 30% PEG400, 300mM Ammonium acetate, 2% glucose, 100mM bis tris propane pH 7.5, 1mM eticlopride, LIPIDIC CUBIC PHASE, temperature 293K |
