7ALF
The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0
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 | 2020-07-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 3 |
| Unit cell lengths | 59.478, 59.478, 64.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.303 - 1.261 |
| R-factor | 0.1454 |
| Rwork | 0.145 |
| R-free | 0.16190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bt9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.796 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.720 | 1.280 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmeas | 0.610 | |
| Rpim | 0.280 | |
| Number of reflections | 68362 | 3377 |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 99.0 | 97.1 |
| Redundancy | 1 | 2.9 |
| CC(1/2) | 1.000 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4 | 277.15 | 20 mM sodium acetate 50 mM NaCl 5 mM D-fructose 10 mM sclx8 |
