8Q6A
The RSL-D32N - sulfonato-calix[8]arene complex, I213 form, citrate 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 | 2023-03-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | I 21 3 |
Unit cell lengths | 94.402, 94.402, 94.402 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.270 - 2.610 |
R-factor | 0.2155 |
Rwork | 0.214 |
R-free | 0.23070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.622 |
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] | 19.270 | 2.660 |
High resolution limit [Å] | 2.610 | 2.610 |
Rmerge | 0.162 | 1.661 |
Rmeas | 0.164 | 1.683 |
Rpim | 0.026 | 0.271 |
Number of reflections | 4376 | 208 |
<I/σ(I)> | 15.8 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 38.7 | 37.7 |
CC(1/2) | 0.998 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 100 mM tri-Sodium citrate pH 4.0, 800 mM Ammonium sulfate |