8Q6B
The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding
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 | 2022-11-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 3 |
Unit cell lengths | 112.160, 112.160, 112.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.650 - 1.520 |
R-factor | 0.1772 |
Rwork | 0.177 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.764 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.790 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmeas | 0.117 | |
Rpim | 0.020 | |
Number of reflections | 36271 | 1805 |
<I/σ(I)> | 22.6 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 34.4 | |
CC(1/2) | 1.000 | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 100 mM tri-Sodium citrate pH 4.0, 1000 mM Ammonium sulfate |