4XPF
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to RTI-55
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 | 2013-11-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.415, 140.312, 166.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.324 - 3.273 |
| R-factor | 0.2439 |
| Rwork | 0.241 |
| R-free | 0.29620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m48 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.920 |
| Data reduction software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.390 |
| High resolution limit [Å] | 3.270 | 7.040 | 3.270 |
| Rmerge | 0.120 | 0.060 | |
| Total number of observations | 126634 | ||
| Number of reflections | 32190 | ||
| <I/σ(I)> | 9 | ||
| Completeness [%] | 89.4 | 81 | 91.3 |
| Redundancy | 3.9 | 4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | PEG 400 39%, Bicine 0.1M |
