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A new software suite, called Crystallography & NMR System (CNS), has been developed for macromolecular structure determination by X-ray crystallography or solution nuclear magnetic resonance (NMR) spectroscopy. In contra...

Abstract To interpret and transmit biological signals, proteins use correlated motions. Experimental determination of these dynamics and the structural distributions they generate remains a key challenge. Here, using 114...

MolProbity is a structure-validation web service that provides broad-spectrum solidly based evaluation of model quality at both the global and local levels for both proteins and nucleic acids. It relies heavily on the po...

The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and signi®cant updates to existing ones. Following normal submission, a Comp...

Automated structure validation was introduced in chemical crystallography about 12 years ago as a tool to assist practitioners with the exponential growth in crystal structure analyses. Validation has since evolved into ...

The CCP4 (Collaborative Computational Project, number 4) program suite is a collection of programs and associated data and subroutine libraries which can be used for macromolecular structure determination by X-ray crysta...

Materias / palabras clave: Crystallography; Materials science; X-ray; X-ray crystallography; Chemistry; Diffraction; Physics; Optics

Macromolecular crystallography provides mechanistic understanding of biological processes and can be applied in drug design. Nowadays, the use of robotic systems for crystal growth and diffraction analysis is widespread ...

Understanding structure at the atomic scale is fundamental for understanding the functioning and the development of materials with improved properties. Compared with other probes providing atomic resolution, electrons of...

Materias / palabras clave: Science: Chemistry: Crystallography

Materias / palabras clave: Science: Chemistry: Crystallography

Interest in electron diffraction (ED) for structural characterization of both proteins and small molecules has grown significantly over the last decade. While ab initio phasing methods remain the gold standard for ED dat...

Materias / palabras clave: Science: Chemistry: Crystallography

Materias / palabras clave: Science: Chemistry: Crystallography

Chlorite dismutase (Cld) is a b-type hemecontaining enzymethat catalyzes the reduction of chlorite into chloride plus dioxygen. This enzyme has gained attention because it can be used in the development of bioremediation...

Materias / palabras clave: Science: Chemistry: Crystallography

Materias / palabras clave: Science: Chemistry: Crystallography; Science: Chemistry: Physical and theoretical chemistry

Materias / palabras clave: Science: Chemistry: Crystallography

Materias / palabras clave: Science: Chemistry: Crystallography

The diazabicyclooctane (DBO) inhibitor avibactam (AVI) reversibly inactivates most serine β-lactamases, including the CTX-M β-lactamases. Currently, more than 230 unique CTX-M members distributed in five clusters with ...

Materias / palabras clave: Science: Physics; Science: Chemistry: Crystallography

The complement system is a blood-based immune network that plays a crucial role in fighting infection and maintaining immune homeostasis. The membrane attack complex (MAC) is a pore assembled from complement proteins tha...

Three-dimensional electron diffraction (3D ED) has become increasingly popular over the last two decades, challenging the limits of established single-crystal X-ray diffraction experiments. In particular, continuous-rota...

The Volta phase plate (VPP) can enhance low-frequency phase contrast in cryo-electron microscopy (cryo-EM) and cryo-electron tomography (cryo-ET), but its impact on tomogram alignment has not been systematically assessed...