Journal ArticleDOI
CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TLDR
In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.Abstract:
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell. Given the atomic coordinates (e.g. from the Brookhaven Protein Data Bank) it can either predict the solution scattering curve or fit the experimental scattering curve using only two free parameters, the average displaced solvent volume per atomic group and the contrast of the hydration layer. The program runs on IBM PCs and on the major UNIX platforms.read more
Citations
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Journal ArticleDOI
A Rapid Coarse Residue-Based Computational Method for X-Ray Solution Scattering Characterization of Protein Folds and Multiple Conformational States of Large Protein Complexes
TL;DR: The results suggest that solution scattering data, when combined with the reliable computational method that is developed, show great potential for a better structural description of multidomain complexes in different functional states, and for recognizing structural folds when sequence similarity to a protein of known structure is low.
Journal ArticleDOI
Ligand-induced structural transitions in ErbB receptor extracellular domains.
TL;DR: It is shown that mutating every intramolecular tether interaction in sEGFR does not greatly alter its conformation, which explains why tether mutants fail to activate EGF receptor and provides new insight into regulation of ErbB receptor conformation.
Journal ArticleDOI
Structural Plasticity of Helical Nanotubes Based on Coiled-Coil Assemblies
Edward H. Egelman,Chunfu Xu,Frank DiMaio,Elizabeth Magnotti,Charles Modlin,Xiong Yu,Elizabeth R. Wright,David Baker,Vincent P. Conticello +8 more
TL;DR: This work designs two synthetic 29-residue α-helical peptides, based on the coiled-coil structural motif, that spontaneously self-assemble into helical nanotubes in vitro, and uses electron cryomicroscopy with a newly available direct electron detection capability to achieve near-atomic resolution of these thin structures.
Journal ArticleDOI
The SAXS solution structure of RF1 differs from its crystal structure and is similar to its ribosome bound cryo-EM structure.
Bente Vestergaard,Suparna Sanyal,Manfred Roessle,Liliana Mora,Richard H. Buckingham,Jette S. Kastrup,Michael Gajhede,Dmitri I. Svergun,Måns Ehrenberg +8 more
TL;DR: Small-angle X-ray scattering data from E. coli RF1 and from a functionally active truncated RF1 derivative obviate the need for assuming large conformational changes in RFs during termination.
Journal ArticleDOI
Rational design of helical nanotubes from self-assembly of coiled-coil lock washers.
Chunfu Xu,Rui Liu,Anil K. Mehta,Ricardo C. Guerrero-Ferreira,Elizabeth R. Wright,Stanislaw Dunin-Horkawicz,Kyle L. Morris,Louise C. Serpell,Xiaobing Zuo,Joseph S. Wall,Vincent P. Conticello +10 more
TL;DR: Fluorescence studies of the interaction of 7HSAP1 with the solvatochromic fluorophore PRODAN indicated that the nanotubes could encapsulate shape-appropriate small molecules with high binding affinity.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
Angular Momentum in Quantum Mechanics
TL;DR: In this paper, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.
Book
Angular Momentum in Quantum Mechanics
TL;DR: In this article, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.