6WK8
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in complex with phenylguanidinium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2019-11-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.819, 50.507, 108.575 |
| Unit cell angles | 90.00, 92.18, 90.00 |
Refinement procedure
| Resolution | 58.390 - 2.530 |
| R-factor | 0.2596 |
| Rwork | 0.257 |
| R-free | 0.30930 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.536 |
| Data reduction software | DIALS |
| Data scaling software | STARANISO |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.000 | 3.000 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.132 | 0.646 |
| Rmeas | 0.145 | 0.723 |
| Rpim | 0.057 | 0.438 |
| Number of reflections | 9466 | 473 |
| <I/σ(I)> | 6.4 | 2.8 |
| Completeness [%] | 85.0 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.946 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100 mM LiNaSO4, 0.1 M Tris pH 8.75, 34% PEG 600 |
