5I6X
X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 129.150, 162.830, 140.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.170 - 3.140 |
| R-factor | 0.24 |
| Rwork | 0.238 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 0.798 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((DEV_2000: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 53.170 |
| High resolution limit [Å] | 3.140 |
| Rmerge | 0.126 |
| Number of reflections | 49873 |
| <I/σ(I)> | 15.2 |
| Completeness [%] | 99.9 |
| Redundancy | 17.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100 mM Tris pH 8.5, 25-125 mM KCl, 32.5-34% PEG 400, 0.5% 6-aminohexanoic acid |
