5I71
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site
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 | 2015-05-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 129.720, 163.740, 140.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.330 - 3.150 |
| R-factor | 0.242 |
| Rwork | 0.240 |
| R-free | 0.27600 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 0.742 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((DEV_2000: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 53.330 |
| High resolution limit [Å] | 3.150 |
| Rmerge | 0.061 |
| Number of reflections | 50934 |
| <I/σ(I)> | 15.27 |
| Completeness [%] | 99.1 |
| Redundancy | 5.5 |
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 |
