Results 171 to 180 of about 3,653 (216)

Generation and modulation of catalytically relevant states of a dye-decolourizing peroxidase using time-resolved serial femtosecond crystallography with drop-on-chip mixing and X-ray-driven reduction. [PDF]

Acta Crystallogr D Struct Biol
Lučić M, Glerup J, Aller P, Axford D, Devenish N, Park J, Shilova A, Landeros de la Isla A, Strange RW, Zhou T, Owen RL, Worrall JAR, Hough MA.   +12 more
europepmc   +1 more source

Best practices in `0 K' DFT energy calculations on molecular crystal structures

Acta Crystallographica Section C, Volume 82, Issue 8, Page 383-400, August 2026.
This article describes best practices for `zero Kelvin' energy calculations on molecular crystals and is targeted for non‐experts who would like to perform their own calculations or assess the accuracy and validity of such calculations reported in the scientific literature.This article describes best practices for `zero Kelvin' energy calculations on ...
Jacco van de Streek, Erin R. Johnson
wiley   +1 more source

Decision-making in serial crystallography: a simple test to quickly determine whether sufficient data have been collected. [PDF]

Acta Crystallogr D Struct Biol
von Stetten D, Pearson AR.
europepmc   +1 more source

Experimental estimation of copper‐site geometry reproducibility in biologically relevant redox and saccharide‐bound states of a model lytic polysaccharide monooxygenase

Acta Crystallographica Section D, Volume 82, Issue 8, Page 886-899, August 2026.
Small but measurable changes in the coordination geometry of a lytic polysaccharide monooxygenase copper active site are revealed by X‐ray crystallography, providing structural insight into their catalytic flexibility.Lytic polysaccharide monooxygenases (LPMOs) are copper‐dependent enzymes classified into the auxiliary activity (AA) families of the ...
Zhiyu Huang, Qiuyi Wei, Jie Nan, Morten H. H. Nørholm, Zimeng Liu, Cristina Hernández-Rollán, Katja S. Johansen, Leila Lo Leggio   +7 more
wiley   +1 more source

Dose‐dependent structural and electron‐density features in the lytic polysaccharide monooxygenase NcAA9D

Acta Crystallographica Section D, Volume 82, Issue 8, Page 900-914, August 2026.
A series of 36 structures of the Neurospora crassa LPMO NcAA9D were refined against X‐ray crystal datasets collected with increasing dose from a single crystal to provide insights into dose‐dependent structural changes at the active site of the enzyme.
Samuel A. Miller, William B. O'Dell, Flora Meilleur   +2 more
wiley   +1 more source

Erratum: A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography. Corrigendum. [PDF]

J Appl Crystallogr
Ghosh S, Zorić D, Dahl P, Bjelčić M, Johannesson J, Sandelin E, Borjesson P, Björling A, Banacore A, Edlund P, Aurelius O, Milas M, Nan J, Shilova A, Gonzalez A, Mueller U, Brändén G, Neutze R.   +17 more
europepmc   +1 more source

An unattended image‐processing pipeline for on‐the‐fly quality assessment and 3D exploration in cryo‐EM

Acta Crystallographica Section D, Volume 82, Issue 8, Page 915-939, August 2026.
We present a fully automated, unattended cryo‐EM pipeline that serves as an on‐the‐fly diagnostic tool, enabling rapid data‐quality assessment and informed decision‐making to maximize data‐collection efficiency.Single‐particle analysis (SPA) by cryogenic electron microscopy (cryo‐EM) has become a cornerstone of structural biology; yet, the workflow ...
Daniel Marchán Torres, Pablo Conesa, Alberto Garcia, Mikel Iceta, Ludovic Broche, Marcos Gragera, Romain Linares, Hok Sau Kwong, Francisco Javier Chichón, Olof Svensson, Rocío Arranz, Grégory Effantin, Eaazhisai Kandiah, José María Carazo, Carlos O. S. Sorzano   +14 more
wiley   +1 more source

Detector alignment for X-ray crystallography using <i>Millepede-II</i>. [PDF]

J Appl Crystallogr
White TA.
europepmc   +1 more source

Advances in the nanostructure characterization of biological hydrogels formed by the prion‐like domain of EARLY FLOWERING 3

Acta Crystallographica Section D, Volume 82, Issue 8, Page 940-946, August 2026.
In biological systems, hydrogels often arise through liquid–liquid phase separation, where biomolecular condensates can age into gel‐like states. SAXS is a key technique to probe the molecular organization of these samples. This study introduces an in‐vacuum Gel‐Cell for SAXS‐based structural analysis of a biologically derived hydrogel formed by the ...
Stephanie Hutin, Pedro L. O. Filho, Anton M. Popov, Petra Pernot, Chloe Zubieta, Mark D. Tully   +5 more
wiley   +1 more source

Modelling of radiation damage and beam-induced heating of room-temperature samples at extremely high flux MX beamlines. [PDF]

IUCrJ
Appleby MV, Kepa MW, Winter G, McAuley KE, Beale JH.   +4 more
europepmc   +1 more source