8VXU
Crystal structure of Gdx-Clo A60T from Small Multidrug Resistance family of transporters in complex with cetyltrimetylammonium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2021-11-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.1272 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.132, 74.873, 108.252 |
| Unit cell angles | 93.27, 89.93, 109.51 |
Refinement procedure
| Resolution | 35.220 - 2.290 |
| R-factor | 0.2779 |
| Rwork | 0.277 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.667 |
| Data reduction software | DIALS (3.17.0) |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.500 | 2.750 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Number of reflections | 22068 | 1160 |
| <I/σ(I)> | 6.2 | 2.1 |
| Completeness [%] | 82.1 | 68.9 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.980 | 0.614 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.75 | 293 | 100 mM CaCl2, 100 mM N-(2-acetamido)iminodiacetic acid (ADA) pH 6.75, and 33% PEG 600 |
