4XPH
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to 3,4dichlorophenethylamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.968, 144.665, 165.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.106 - 2.900 |
| R-factor | 0.2422 |
| Rwork | 0.240 |
| R-free | 0.27700 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.894 |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
| Rmerge | 0.074 | 0.036 | |
| Total number of observations | 203265 | ||
| Number of reflections | 52939 | ||
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 97.2 | 98.7 | 99.8 |
| Redundancy | 3.8 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | PEG 400, 33%; NaMES |
