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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...

In the era of single-particle cryogenic electron microscopy (cryo-EM) and AI-driven protein structure prediction, obtaining high-resolution protein structures, either experimentally or computationally, has become increas...

Sustaining public investment in neutron and photon science facilities demands breakthrough results comparable to a Higgs moment. Harnessing AI across their accumulated experimental data and collaborative programmes is wh...

We demonstrate a grazing-incidence X-ray platform that simultaneously records time-resolved grazing-incidence small-angle X-ray scattering (GISAXS) and grazing-incidence X-ray diffraction (GID) from a femtosecond-laser-i...

Lytic transglycosylases (LTs) play a central role in bacterial cell wall remodeling by cleaving the β-1,4-glycosidic bond in peptidoglycan via a non-hydrolytic mechanism, producing 1,6-anhydroMurNAc termini crucial for ...

The systematic comparison of 3D-ED methods in terms of data quality presented by Schmitt et al. [IUCrJ (2026), 13, 291–303] is discussed.

It is done the statistical analysis of crystallographic angles of surface elements of tin telluride films deposited on a substrate of polyimide by open evaporation in a vacuum. Analysis of images obtained by atomic force...

Abstract The abnormal formation of the membrane attack complex (MAC) is intrinsically linked to a range of acute and chronic immune diseases. The insertion of complement C9 into the membrane is the final step and kinetic...

This paper describes various components of the macromolecular crystallographic refinement program REFMAC5, which is distributed as part of the CCP4 suite. REFMAC5 utilizes different likelihood functions depending on the ...

The program Mercury , developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called the Materials Module...

Phaser is a program for phasing macromolecular crystal structures by both molecular replacement and experimental phasing methods. The novel phasing algorithms implemented in Phaser have been developed using maximum likel...

SIR 97 is the integration of two programs, SIR 92 and CAOS , the first devoted to the solution of crystal structures by direct methods, the second to refinement via least-squares–Fourier procedures. Several new feature...

VESTA is a three-dimensional visualization system for crystallographic studies and electronic state calculations. It has been upgraded to the latest version, VESTA 3 , implementing new features including drawing the exte...

Map interpretation remains a critical step in solving the structure of a macromolecule. Errors introduced at this early stage may persist throughout crystallographic refinement and result in an incorrect structure. The n...

Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Followin...

Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required to solve and complete many of these structures be...

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

The new computer program SHELXT employs a novel dual-space algorithm to solve the phase problem for single-crystal reflection data expanded to the space group P1. Missing data are taken into account and the resolution ex...

Materias / palabras clave: Midpoint; Globular protein; Sequence (biology); Protein structure; Chemistry; Amino acid; Crystallography; Peptide sequence; Amino acid residue; Biophysics; Biochemistry; Biology

New protein parameters are reported for the all-atom empirical energy function in the CHARMM program. The parameter evaluation was based on a self-consistent approach designed to achieve a balance between the internal (b...