6Z5Q
The 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 | 2020-01-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 3 |
Unit cell lengths | 59.851, 59.851, 64.631 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.830 - 1.290 |
R-factor | 0.1379 |
Rwork | 0.136 |
R-free | 0.16490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bt9 |
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] | 51.830 | 1.320 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmeas | 0.078 | 0.689 |
Rpim | 0.024 | 0.222 |
Number of reflections | 64914 | 3257 |
<I/σ(I)> | 13.5 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.2 | 9.4 |
CC(1/2) | 0.999 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4 | 277.15 | 0.02 M sodium acetate, 0.05 M NaCl, 0.01 M sulfonato-calix[8]arene, 0.005 M D-fructose |