6AWO
X-ray structure of the ts3 human serotonin transporter complexed with sertraline 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 | PIXEL |
| Collection date | 2017-03-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 128.980, 161.960, 140.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.855 - 3.534 |
| R-factor | 0.2634 |
| Rwork | 0.262 |
| R-free | 0.28320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i6x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.908 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2597)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.620 |
| High resolution limit [Å] | 3.530 | 3.530 |
| Rmerge | 0.058 | 0.589 |
| Number of reflections | 33719 | 1615 |
| <I/σ(I)> | 13.14 | 1.71 |
| Completeness [%] | 99.9 | 86.7 |
| Redundancy | 5.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 50 mM Tris-HCl pH 8.5, 75 mM Li2SO4, 75 mM Na2SO4, 35% PEG 400, 0.5% 6-aminohexanoic acid |
