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 |