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
Versatile sample environments and automation for biological solution X‐ray scattering experiments at the P12 beamline (PETRA III, DESY)
Clement E. Blanchet,Alessandro Spilotros,Frank Schwemmer,Melissa A. Graewert,Alexey Kikhney,Cy M. Jeffries,Daniel Franke,Daniel Mark,Roland Zengerle,Florent Cipriani,Stefan Fiedler,Manfred Roessle,Dmitri I. Svergun +12 more
TL;DR: An integrated environment for biological small-angle X-ray scattering (BioSAXS) at the high-brilliance P12 synchrotron beamline of the EMBL (DESY, Hamburg) allows for a broad range of solution scattering experiments.
Journal ArticleDOI
The abscisic acid receptor PYR1 in complex with abscisic acid
Julia Santiago,Florine Dupeux,Adam Round,Regina Antoni,Sang-Youl Park,Marc Jamin,Sean R. Cutler,Pedro L. Rodriguez,José A. Márquez +8 more
TL;DR: The crystal structure of Arabidopsis thaliana PYR1 is presented, which consists of a dimer in which one of the subunits is bound to ABA, indicating that conformational changes in these loops have a critical role in the stabilization of the hormone–receptor complex.
Journal ArticleDOI
A practical guide to small angle X-ray scattering (SAXS) of flexible and intrinsically disordered proteins
Alexey Kikhney,Dmitri I. Svergun +1 more
TL;DR: Examples of the synergistic use of SAXS with high resolution methods like X‐ray crystallography and nuclear magnetic resonance (NMR), as well as other experimental andin silico techniques to characterize completely, or partially unstructured proteins, are presented.
Journal ArticleDOI
Mre11 dimers coordinate DNA end bridging and nuclease processing in double-strand-break repair.
R. Scott Williams,Gabriel Moncalián,Jessica S. Williams,Yoshiki Yamada,Oliver Limbo,David S. Shin,Lynda M. Groocock,Dana Cahill,Chiharu Hitomi,Grant Guenther,Davide Moiani,James P. Carney,Paul Russell,John A. Tainer,John A. Tainer +14 more
TL;DR: Results show how Mre11 dimerization and nuclease activities initiate repair of DSBs and collapsed replication forks, as well as provide a molecular foundation for understanding cancer-causing Mre 11 mutations in ataxia telangiectasia-like disorder (ATLD).
Journal ArticleDOI
ATSAS 2.1 – towards automated and web-supported small-angle scattering data analysis
Maxim V. Petoukhov,Maxim V. Petoukhov,Peter V. Konarev,Peter V. Konarev,Alexey Kikhney,Dmitri I. Svergun,Dmitri I. Svergun +6 more
TL;DR: A prototype of an automated data-analysis system for isotropic solution scattering based on the further development of the programs belonging to the package ATSAS 2.1 is reported.
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.