6Z62
The RSL - sulfonato-calix[8]arene complex, P213 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 21 3 |
Unit cell lengths | 63.941, 63.941, 63.941 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.916 - 1.156 |
R-factor | 0.1455 |
Rwork | 0.145 |
R-free | 0.16030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bt9 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.866 |
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] | 45.210 | 1.180 |
High resolution limit [Å] | 1.156 | 1.156 |
Rmeas | 0.077 | 1.782 |
Rpim | 0.012 | 0.319 |
Number of reflections | 30746 | 1527 |
<I/σ(I)> | 25.2 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 38.5 | 30.8 |
CC(1/2) | 0.999 | 0.777 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M TRIS-HCL pH 8.5, 1.6 M Ammonium sulfate, 0.2 M Lithium sulfate, 0.064 M sulfonato-calix[8]arene, 0.005 M D-fructose |