8CF6
Dimethylated RSL-R5 in complex with cucurbit[7]uril, F432 cage assembly
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 | F 4 3 2 |
Unit cell lengths | 200.329, 200.329, 200.329 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.960 - 1.340 |
R-factor | 0.1912 |
Rwork | 0.190 |
R-free | 0.21090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.872 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (v1.17) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.170 | 1.360 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmeas | 0.014 | 0.317 |
Number of reflections | 77653 | 3798 |
<I/σ(I)> | 25.7 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 78.2 | |
CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 25 % PEG3350 0.1 M Bis-Tris pH 5.5 0.2 M NaCl |