Distance Distribution between Two Iodine Atoms Derived from Small-Angle X-ray Scattering Interferometry for Analyzing a Conformational Ensemble of Heavy Atom-Labeled Small Molecules
- 16 July 2020
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry Letters
- Vol. 11 (14), 5451-5456
- https://doi.org/10.1021/acs.jpclett.0c01107
Abstract
To obtain unbiased information about the dynamic conformational ensemble of a molecule in solution, one promising approach is small-angle X-ray scattering (SAXS). Conventionally, SAXS data are converted to a pair distribution function, which describes the distance distribution between all pairs of atoms within a molecule. If two strong X-ray scatterers are introduced and the background contributions from the other atoms are suppressed, then the distance distribution between the two scatterers provides spatial information about a flexible molecule. Gold nanocrystals can provide such information for distances of >50 angstrom. Here, we synthesized a chemical compound containing two iodine atoms attached to the ends of a flexible polyethylene glycol chain and used the relevant singly labeled and unlabeled compounds to suppress the background contribution. This is a feasibility demonstration to prove that the distance distribution in the range of 10-30 angstrom can be experimentally accessed by SAXS.Funding Information
- Japan Agency for Medical Research and Development (1176)
- Japan Society for the Promotion of Science (JP19H05452, JP26119001, JP26119002)
This publication has 22 references indexed in Scilit:
- Nanometer-accuracy distance measurements between fluorophores at the single-molecule levelProceedings of the National Academy of Sciences of the United States of America, 2019
- Single-Molecule FRET Spectroscopy and the Polymer Physics of Unfolded and Intrinsically Disordered ProteinsAnnual Review of Biophysics, 2016
- Absolute Intramolecular Distance Measurements with Angstrom-Resolution Using Anomalous Small-Angle X-ray ScatteringNano Letters, 2016
- Quantifying Nucleic Acid Ensembles with X-ray Scattering InterferometryMethods in Enzymology, 2015
- NMR structure validation in relation to dynamics and structure determinationProgress in Nuclear Magnetic Resonance Spectroscopy, 2014
- Quantitative analysis of end-to-end distance of single polymer chain in ultra-thin film by super-resolution fluorescence imagingChemical Physics, 2013
- Improved Sensitivity for Long-Distance Measurements in Biomolecules: Five-Pulse Double Electron–Electron ResonanceThe Journal of Physical Chemistry Letters, 2012
- Determining pair distance distribution function from SAXS data using parametric functionalsJournal of Structural Biology, 2012
- A Molecular Ruler for Measuring Quantitative Distance DistributionsPLOS ONE, 2008
- Remeasuring the Double HelixScience, 2008