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 |