7ALG
The RSLex - 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 | 59.680, 59.680, 64.284 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.294 - 1.452 |
| R-factor | 0.1449 |
| Rwork | 0.144 |
| R-free | 0.16770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bt9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.758 |
| 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] | 27.294 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmeas | 0.068 | 0.835 |
| Rpim | 0.030 | 0.377 |
| Number of reflections | 45237 | 2252 |
| <I/σ(I)> | 15.7 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.2 | 9.8 |
| CC(1/2) | 1.000 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4 | 277.15 | 20 mM acetate 50 mM NaCl 5 mM D-fructose 15 mM sclx8 |
