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
More filters
Journal ArticleDOI
Synaptic Arrangement of the Neuroligin/β-Neurexin Complex Revealed by X-Ray and Neutron Scattering
Davide Comoletti,Alexander Grishaev,Andrew E. Whitten,Andrew E. Whitten,Igor Tsigelny,Palmer Taylor,Jill Trewhella,Jill Trewhella +7 more
TL;DR: Structural models are developed that delineate the spatial arrangements of different neuroligin domains and their partnering molecules and provide a structural framework for understanding altered recognition by these proteins in neurodevelopmental disorders.
Journal ArticleDOI
Assembly of Lipids and Proteins into Lipoprotein Particles
TL;DR: The self-assembly of reconstituted discoidal high-density lipoproteins, known as nanodiscs, was studied using coarse-grained molecular dynamics and small-angle X-ray scattering to show that hydrophobic interactions assemble, within several microseconds, the amphipathic helical proteins and lipids into roughly discoidal particles, while the proteins assume a final approximate double-belt configuration on a slower time scale.
Journal ArticleDOI
Organic spin clusters. A dendritic-macrocyclic poly(arylmethyl) polyradical with very high spin of S = 10 and its derivatives: Synthesis, magnetic studies, and small-angle neutron scattering
TL;DR: Low-resolution shape reconstructions from the small-angle neutron scattering (SANS) data indicate that both the polyradical with 24 triarylmethyls and its derivatives have dumbbell-like shapes with overall dimensions 2 x 3 x 4 nm, in agreement with the molecular shapes of the lowest energy conformations obtained from Monte Carlo conformational searches.
Activation of the LicT Transcriptional Antiterminator Involves a Domain Swing⁄Lock Mechanism Provoking Massive
Marc Graille,Cong-Zhao Zhou,Bruno Collinet,Nathalie Declerck,Herman van Tilbeurgh,Joseph Aiguier +5 more
TL;DR: In this paper, the 1.95-resolution structure of the inactive LicT PRDs as well as the molecular solution structure of a full-length protein was deduced from small angle x-ray scattering.
Journal ArticleDOI
The Conformational Properties of Elongation Factor G and the Mechanism of Translocation
John Czworkowski,Peter B. Moore +1 more
TL;DR: The small-angle X-ray scattering study described here was undertaken to ascertain if the form ofEF-G that has high ribosome affinity, EF-G.GTP, the structure of which is unknown, could be a mimic of EF-Tu, and the data show that nucleotide-free EF-g, EF.GDP, and GTP cannot be distinguished by solution scattering and that it is likely they all resemble crystalline EF- gdp.
References
More filters
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.