6STH
Highly cationic RSL-R8 in complex with sulfonato-calix[8]arene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-02 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 3 |
| Unit cell lengths | 60.604, 60.604, 59.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.302 - 1.726 |
| R-factor | 0.1909 |
| Rwork | 0.188 |
| R-free | 0.23870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.226 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.300 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmeas | 0.192 | 1.691 |
| Rpim | 0.062 | 0.055 |
| Number of reflections | 25591 | 1242 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.6 mM RSL-R8 combined 33 mM sulfonato-calix[8]arene were crystallized using 0.1 M TRIS; pH 8.5, 1.26 M Ammonium sulfate, 0.2M Lithium sulfate. |
