4XNU
X-ray structure of Drosophila dopamine transporter in complex with nisoxetine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.901, 133.667, 161.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.099 - 2.980 |
| R-factor | 0.227 |
| Rwork | 0.226 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m48 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.846 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.090 |
| High resolution limit [Å] | 2.980 | 6.420 | 2.980 |
| Rmerge | 0.133 | 0.053 | |
| Rmeas | 0.137 | 0.059 | |
| Rpim | 0.069 | 0.025 | 0.705 |
| Total number of observations | 223836 | ||
| Number of reflections | 44010 | ||
| <I/σ(I)> | 3.9 | ||
| Completeness [%] | 99.4 | 97.8 | 99.1 |
| Redundancy | 5.1 | 5.2 | 3.8 |
| CC(1/2) | 0.995 | 0.473 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 350 MME 38%, Glycine 0.1M |
