4XPA
X-ray structure of Drosophila dopamine transporter bound to 3,4dichlorophenethylamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.339, 140.125, 165.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.170 - 2.950 |
| R-factor | 0.231 |
| Rwork | 0.230 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m48 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.894 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.090 | 0.823 |
| Number of reflections | 44915 | |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 94.2 | 88.5 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 400 (38%), Tris 0.1M |
