6Z5P
The RSL-R8 - sulfonato-calix[8]arene complex, P3 form, TRIS-HCl pH 8.5
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 | 2019-09-20 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 3 |
Unit cell lengths | 60.061, 60.061, 59.595 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 59.600 - 1.420 |
R-factor | 0.1321 |
Rwork | 0.131 |
R-free | 0.15870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sth |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.600 | 1.440 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmeas | 0.420 | 1.092 |
Rpim | 0.130 | 0.329 |
Number of reflections | 45137 | 2253 |
<I/σ(I)> | 23.8 | 2.1 |
Completeness [%] | 99.0 | 98 |
Redundancy | 10.5 | 10.8 |
CC(1/2) | 1.000 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1 M TRIS-HCl pH 8.5, 1.3 M Ammonium sulfate, 0.05 M sulfonato-calix[8]arene, 0.005 M D-fructose |