6WK9
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in complex with octylguanidinium
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 | 2019-12-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9183 |
Spacegroup name | P 1 |
Unit cell lengths | 51.042, 75.828, 109.123 |
Unit cell angles | 92.54, 90.04, 109.63 |
Refinement procedure
Resolution | 33.010 - 2.320 |
R-factor | 0.2478 |
Rwork | 0.246 |
R-free | 0.28590 |
Structure solution method | SAD |
Data reduction software | STARANISO |
Data scaling software | DIALS |
Phasing software | SHELX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.000 | 2.700 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.074 | 0.380 |
Rmeas | 0.088 | 0.442 |
Rpim | 0.044 | 0.225 |
Number of reflections | 25091 | 1255 |
<I/σ(I)> | 9.2 | |
Completeness [%] | 85.0 | |
Redundancy | 3.8 | |
CC(1/2) | 0.987 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M calcium acetate, 0.1 M Hepes pH 7.5, 33% PEG 600 |