5I74
X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site
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 | 2015-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.902 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 129.590, 164.000, 140.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 101.678 - 3.395 |
| R-factor | 0.251 |
| Rwork | 0.249 |
| R-free | 0.29620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.005 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1634) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 101.680 |
| High resolution limit [Å] | 3.395 |
| Rmerge | 0.061 |
| Number of reflections | 41581 |
| <I/σ(I)> | 17.6 |
| Completeness [%] | 99.9 |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100 mM Tris pH 8.5, 125 mM NaCl, 125 mM magnesium chloride, 33.4% PEG 400 |
