Acta Crystallographica A-Foundation and Advances

Article	Citations
The preferential orientation of silicon phases formed during non-hydrostatic compression	23
Searching for a hydrogen-ordered counterpart of ice IV through in situ high-pressure powder neutron diffraction experiments	23
BioMAX and FragMAX: trends and developments on a fourth-generation macromolecular crystallography beamline	17
High-pressure behavior and metastable phases of Si x Ge1−x alloys	16
High-speed X-ray ptychographic tomography at the Diamond Light Source	16
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	16
Crystal structure of a unique activating sulfotransferase SgdX2 involved in the sungeidine biosynthesis	13
Electron diffraction analysis of a 3D covalent organic framework	13
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	12
Novel nonlinear optical crystal of L-arginine dichloride	11
Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study	11
A PPR protein-based FRET sensor for RNA	9
Situations where small-molecule raw data should be made available	9
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	9
Investigation of the milling characteristics of different focused ion beam sources assessed by three-dimensional electron diffraction from crystal lamellae	8
Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	8
Single-crystal structure analysis of Ni3Se2 and Debye temperatures of Ni chalcogenides	8
Morphological reconstruction from powder diffraction data	8
Large magnetovolume effect in a cobaltite perovskite	8
EASY GOV: innovative platform for laboratory management	7
Coherent X-ray diffraction imaging on the D2AM (BM02) beamline	7
Factors governing photoswitchability of selected nickel(II) nitro complexes	7
Evaluating the accuracy of Rietveld analysis for diffraction data from nanocrystalline powders	6
An interactive tool to explore the two-dimensional Fourier transform	6
Temperature and pressure stability of Li graphite intercalation compounds	6

Operando X-ray diffraction studies of NASICON-type positive electrodes for Na-ion batteries	6
Comparative characterization of two new SiO2–CaO–P2O5 bioactive glasses	6
Synthesis and characterization of the solid-solution series NaYb1−x Lu x S2 in the α-NaFeO2	6
EMBL at PETRA4 – an integrated facility for structural biology and imaging	6
The XtaLAB Synergy-ED: progress and latest results	6
New drug–drug salt forms of ciprofloxacin with fenamic acids	6
Structural and molecular characterization of the aminoglycoside phosphotransferase APH(3')-IIb from Pseudomonas aeruginosa	5
Increasing STEM persistence through CUREs and community	5
Crystallographic structures of aIF5B from Pyrococcus abyssi in its GDP and GTP-bound forms	5
Cysteine synthase: a key enzyme in the cysteine synthesis pathway and a novel drug target for Chagas disease	5
Enabling high-energy large-unit-cell ultra-high-resolution X-ray crystallography on the P14 at PETRAIII beamline	5
HLA-B*57-restricted immune response to HIV TW10 epitope drives for selection of specific TCR gene usages regardless of the viral load	5
In situ XRD and PDF investigation of battery fluoride materials MF3·3H2O (M = Fe, Cr) in controlled atmosphere: accessing new phases with controlled chemistr	5
Biophysical characterization of the Pseudomonas aeruginosa BqsR/BqsS two-component system	5
The untold story of the world's most common crystal structure	4
Structure relations of belite and alite polymorphs	4
Structural studies of the human particulate guanylyl cyclase receptor A (Pgc-A) to support therapeutics for cardiovascular diseases	4
Finding the Bravais lattice of a '1/N' size supercell from error-containing lattice parameters	4
Insights into the bonding nature of arsenic, phosphorus and sulfur ylides: an answer from quantum crystallography	4
Successful sample preparation for serial crystallography at synchrotrons and XFELs	4
Probing pressure-driven protein phase behavior via in situ high-pressure scattering methods	4
Where to start: the dynamic adventure of identifying start codons in mRNAs	4
The influence of wavefunction's basis set on the fit of multipole model to wavefunction	4
Pore architecture of the MIL-53(Al) mechanically controlled to intelligently modulate CO2 adsorption	4
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	3
Anticancer activities of acetylacetone coordinated ReI tricarbonyl complexes: a single-crystal investigation, spectroscopic and DFT studies and in silico molecular docking	3
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	3
TLR4 TIR domain higher-order assemblies reveal the structural basis of adaptor recruitment in Toll-like receptor signaling pathways	3
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	3
Structural characterization of spermidine methyltransferase, a novel member of the plant aminopropyltransferase family from Erythroxylum coca	3
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	3
DISCOVER: a total scattering diffractometer for materials discovery at the SNS	3
Order from disorder: towards molecular architecture of the muscle Z-disk assembly by integrative structural biology	3
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	3
Luminescent Eu-hydroxyapatite for imaging applications	3
Structural basis for enzymatic terminal C—H bond functionalization of alkanes	3
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	3
High-throughput scattering data processing on field-programmable gate arrays	3
Using crystal structures from the Cambridge Structural Database in schools	3
Sub-millisecond XRD measurement system while changing temperature and pressure using diamond anvil cells on beamline B10XU of SPring-8	3
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	3
Half way to hypusine. Molecular basis of deoxyhypusination	3
Understanding preferences for double-stranded RNA cleavage by SARS-Cov-2 enzyme Nsp15	3
Insight into structure and function of a Klebsiella phage capsular depolymerase: from a serendipitous finding to the design of active mini-enzymes against K. pneumoniae	2
Polar amalgams: structure–property relations in bad metals	2
Archaeometrical contribution of synchrotron beamlines	2
Superstructure reflections in tilted perovskites	2
Single-crystal XRD: black box versus experienced crystallographer	2
Teaching crystallography on real data in life sciences and beyond	2
Hybrid improper ferroelectricity in columnar (NaY)MnMnTi4O12	2

On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity	2
Assuring quality in Rietveld refinements	2
Delone lattice studies in C 3 , the space of three complex variables	2
Structural insights into RNA-guided DNA insertion of type V CRISPR-associated transposons	2
Laser-heated rapid decompression of enstatite (Mg2Si2O6): constraining impact barometry	2
AlphaFold database and its impact on the crystallographic world	2
Structural and spectroscopic details of 'magnesium hydroxide sulfate hydrate' (MHSH), representing the enigmatic 'low-humidity' kieserite on Mars	2
Decocrystallization as a new route to elusive polymorphs	2
AI and structural biology: the future of biomolecular structure determination	2
Multiple high-resolution structures providing the insights of glucose tolerance in GH1 family β-glucosidases	2
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography	2
Magnetism of gallium cuboferrites	2
Pushing technique boundaries to probe conformational polymorphism	2
Sweet protein crystallography in post-AlphaFold era	2
Chiral heterometallic Cu/Ln complexes from enantiopure Schiff base ligands	2
When is experimental phasing of protein crystals needed for structure solution, post-AlphaFold 2?	2
Disentangling coupled degrees of freedom in quantum materials	2
Pre-nucleation clusters in liquid benzoic acid	2
Pierre J. Becker (1942–2024)	2
Open the black box with X-Area's intuitive, interactive and colourful data quality assessment graphics	2
On the effectiveness of first-year-of-university mathematics and somewhat brute force computing when developing new methods in crystallography	2
Piezosolvatochromic insights into solvent–solute interactions	2
Targeting the sphingolipid biosynthesis pathway of protozoan parasites as drug targets	2
Shedding a new light on nitro compounds: NIR-emitting quadrupole-structured dyes	2
On geometric tubular polyhedra of types 2 01 and 2 1	2
Molecular symmetry and art: visualizing the near-symmetry of molecules in Piet Mondrian's De Stijl	2
Combining mechanochemistry and structural analysis for the design of nanocrystalline reticular materials	2
Synthesis of spin crossover (SCO) complexes through accelerated aging contact reactions	1
Serial diffractive imaging to visualize ultrafast dynamics in nanoscale systems	1
Photocrystallography at the Australian Synchrotron	1
Crystallization of podocin, associated with nephrotic syndrome	1
Unravelling the components of diffuse scattering using deep learning	1
Investigation of a novel organocobalt complex of B12 model catalyst	1
PDB-Dev: a prototype system for archiving integrative structures	1
Topological magnetic structures in MnGe: neutron diffraction and symmetry analysis	1
Determining suitable periodic DFT methods for modelling Titan-relevant molecular minerals	1
Understanding ladderane biosynthesis: towards structural and mechanistic insights from an anammox β-ketoacyl-ACP-synthase II	1
ChuA from pathogenic Escherichia coli selectively acquires heme from host haemoglobin	1
Facile synthesis of conductive metal–organic frameworks applicable for electrocatalysis	1
Fluorooxoborates: novel candidates for deep-UV nonlinear optical materials	1
Synchrotron X-ray absorption fine structure (XAFS) of Ni-doped borate glass with X-ray extended range technique (XERT): a new methodology for calculating structure	1
In situ synchrotron X-ray powder diffraction of mechanochemically induced self-sustaining reactions	1
Casting light on formation of the pearl oyster shell with nanobeam X-ray total scattering	1
Education never ends	1
Dual nature of CdYb quasicrystal: the structure with Bergman or Tsai clusters?	1
Sodium salt hydrate crystals of nonsteroidal anti-inflammatory drugs: structure and solid-state dehydration transition relationship	1
Unattended data collection on the Australian Synchrotron's MX3 beamline	1
Implementation of a dose-symmetric tomography scheme in 3D electron diffraction	1
Study of the charge-density wave in a Dirac semimetal Ir2In8Se	1
Investigation of intramolecular charge-transfer state geometry in polymorphic crystals of a donor–bridge–acceptor dyad by time-resolved pink Laue X-ray diffraction	1
Developing C-reactive protein modulators as new treatments for inflammation	1
Semi- and self-supervised approaches to space group and Bravais lattice determination	1
Studying the spin-liquid behaviour in A 2RE3Sb3O14 and derivatives	1
Photon-counting detectors in the space domain and the time domain	1
Reciprocal-space mapping for macromolecular crystallography	1
Parallelohedra, old and new	1
Diffuse scattering from crystals – quantifying the contribution of lattice dynamics and disorder	1
In situ liquid-phase 3D-ED/microED for studying polymorphism	1
Mammalian rhodopsin dynamics using an X-ray free-electron laser	1
High throughput for high-resolution cryo-electron tomography	1
Structural characterizations, optical and photo-electrochemical properties of four mixed-valence heterometallic coordination networks of alternating [Fe(CN)6]3/4− anions and [	1
Structural and functional studies of TBEV non-structural protein 5	1
X-ray crystallography and AlphaFold reveal the structure of acetyl-CoA-carboxylase from Nitrosopumilus maritimus	1
A toolkit for young crystallographers in need of more learning resources	1
The first year of user operation of the new ID29 for serial crystallography at the ESRF Extremely Brilliant Source	1
Structural and functional characterisation of plant TIR domains and their role in plant innate immunity	1
Diversity and similarity in isonicotinamide two-component phases with alkyl carboxylic acids: focus on solvates	1
Ultrathin selenium nanorods from helical phases: a quantum chemical study using line group theory	1
Mg-rich nanoparticles within Mg-poor calcite matrices: from coralline red algae to a widespread phenomenon in biomineralization	1
Combined X-ray studies on metalloenzymes at room temperature	1
Study of electrical stimulation-responsive hydrogels by rheo-SAXS measurement	1
Supramolecular N—H...O interactions in a new hybrid organic–inorganic decavanadate synthon	1
Data-driven ptychographic X-ray tomography	1
Locating trace Ag atoms on Au nanorods via 4D-STEM	1
Crystal structure of 9S-lipoxygenase from Enhygromyxa salina	1
Multiscale structures in fat	1
Polysaccharide–clay composite beads as sustainable alternative porous adsorbents for purification of bio-oils: adsorption of α-tocopherols	1
Time-resolved crystallographic studies on chlorite dismutase	1
Towards prevention of septic shock syndrome: structural and functional studies of PGRP and its complexes with various PAMPs	1
Probing defects and disorders in nanoporous materials by electron crystallography	1

On the selectivity of methylation of the amidine system and stereoisomerism of 3-alkylated derivatives of 5-methoxycarbonylmethylidene-4-phenylimino-1,3-thiazol-2(5H)-one	1
High-energy X-ray diffraction for physics and chemistry on beamlines P07 and P21.1 at PETRA III, DESY	1
Improving the oxygen tolerance in a highly active [NiFeSe] hydrogenase	1
Orienteering through the crystal engineering landscape	1
Oscillation system of cyanobacterial circadian clock system revealed by an integral approach with SAXS, SANS and AUC	1
Call for nominations for the Ewald Prize	1
Magnesioreduction synthesis of silicides: the structure–properties relationship	1
First implementation of tight-binding methods (xTB) for quantum crystallographic refinement	1
Obligate respiratory chain complex III2IV2 supercomplexes of Actinobacteria	1
Structural basis of an anti-cancer biological warhead bound to its target CDCP1 for the diagnosis and treatment of epithelial cancers	1
Approximate lattice matching in three dimensions	1
Exploring generality of experimental conformational changes with AlphaFold predictions	1
Challenge for fabrication of silk-based sustainable products based on microscopic biomimetics of hierarchical structure in native silks	1
Structures of honeybee-infecting virus reveal domain functions and capsid assembly with dynamic motions	1
Modification of the program FOX for using intermolecular distances from ssNMR	1
Shape measurement by tracking topology in phase contrast and diffraction	1
Deep learning based hallucination of de novo protein assemblies accross the nanoscale	1
The crystal structure of detergent-activated BAK dimers provides insights into BAK activation steps and how they stabilise membrane pores	1
Preferred orientation of freshwater shells of the species Sinanodonta woodiana and Anodonta anatina studied by neutron and X-ray diffraction	1
Local structures in BIMEVOX oxide ion conductors	1
Tailoring halogen-bond donors for crystal engineering	1
Structural plasticity of the coiled-coil interactions in SFPQ	1
Epitaxial intergrowths and local oxide displacements in natural bixbyite	1
Bent-crystal Laue analyser combined with polarization-dependent total reflection fluorescence X-ray absorption fine structure (BCLA-TRFXAFS) and its application to electrode surface	1
Theoretical and experimental analysis of the isolobal principle	1
Structural insight into the mechanism of inhibitor Y180 against SARS-CoV-2 omicron main protease	1
The crystal isometry principle justifies a new data standard for all periodic crystals	1
New dithienylethylene-based molecular switches – photoisomerization behaviour and in situ photocrystallographic studies	1
Nano-crystalline sponge method enabled by 3D-ED using a flexible Bi metal–organic framework	1
Structural studies of GPCRs with MicroED	1
Neutron scattering and neutron spectroscopy for insights into food emulsion interfaces	1
Charge refinement of metal ion cofactors in protein crystals using microED	1
In situ studies of synthesis of oxyfluorides and fluorides using solid-state fluorine sources	1
Pas de deux of a nitrosyl couple: synchronous photoswitching from a double-linear to a double-bent in a metal dinitrosyl photoinduced linkage isomer	1
XAS database of reagents frequently used in structural biology	1
Solid solutions of mono- and dihalogen alkyl phosphonium salt derivatives and their photoluminescence properties	1
Impact on validation and quality of structures deposited to PDB	1
Structural complexity in the RP phase La2CoO4+δ explored by synchrotron X-ray single-crystal diffraction and neutron powder diffraction	1
SASSIE: a BioSAS experiment planning and data analysis tool	1
LaueNN: neural network based hkl recognition of Laue spots and its application to polycrystalline materials	1
Understanding the high-voltage crystallographic and electronic structure evolution in Li-ion battery cathodes through X-ray diffraction, scattering and spectroscopy	1
Engineering SilkCatcher/Tag pairs for production of native-sized spider silk proteins	1
Structure based modification of omega transaminases from Pseudomonas putida KT2440 for industrial use	1
Structural complexity in amorphous calcium carbonate	1
A simple formula for determining nanoparticle size distribution by combining small-angle X-ray scattering and diffraction results	1
Structural and physical properties of R-BTBT-CONHC14H29 (R = H, C8H17)	0
Automation of room-temperature data collection on BIOMAX beamline	0
Micro-focus Raman studies on elastically flexible small peptide crystals	0
High-throughput and high-resolution powder diffraction measurement system for accelerating green materials science and engineering	0
Dual-axis aligned artificial water channels formed via water-induced self-assembly	0
The transmembrane protease TMPRSS2 as a potential target for treatment of virus infection	0
Biocrystallography as a means of communication with the general public on the coronavirus and the RNA world	0
Structure of the endosomal Commander complex mutated in Ritscher-Schinzel syndrome: combining crystallography, cryo-EM and AlphaFold2	0
Discovery and structural characterization of novel nanobodies targeting the Cavin1 complex essential for forming caveola membrane vesicles	0
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	0
Deep learning for improving grain mapping from near-field high-energy diffraction microscopy	0
Combined structural, spectroscopic, electrochemical and magnetic study of nickel(II) pyrazolates: dinuclear [Ni2], linear [Ni3] and triangular [Ni3] incorporating five	0
RNA X-ray structures at atomic resolution that contain an essential constituent of the mRNA vaccines: N1-methylpseudouridine	0
Development of giant crystalline molecular rotor mediated by bulky N-heterocyclic carbene gold(I) complex	0
Investigation of CO2 adsorption on a selection of zeolites by combining in situ high-resolution powder X-ray diffraction, isotherm modeling and simulation	0
Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitrophenyl)piperazine	0
Defective CuI/InIII corners trapped in an ordered lattice of barium copper indium selenide	0
Capillary crystallization: a versatile tool for chemical crystallography and absolute configuration determination	0
Improvements to the XIPHOS I ultra-low-temperature diffraction facility	0
Portable energy-dispersive X-ray diffraction analyser for lunar applications	0
The phase transitions of scandium aluminium tungstate; an exploration of zero thermal expansion materials under pressure	0
Laboratory RheoSAXS studies of non-ionic surfactants	0
Development of gigapixel imaging XAFS	0
Three-dimensional ED on oxides – improving the handling of phase mixtures	0
Steps forward beyond the crystal structures: MAXS reveals the potential massive movements during the catalytic action of a kinase	0
Cellular activation pathway of bemnifosbuvir (AT-527), a drug candidate against SARS-CoV-2 infections	0
Simultaneous DSC and structural studies of liposomes	0
Structural studies of a mitochondrial RNA importer	0
Glycan-mediated activation of B cells in chronic lymphocytic leukaemia subsets	0
SO(3)-equivariant neural networks from cryo-EM particle picking	0
Loose polymorphs of DL-menthol and their compression	0
Ultrafast optical spectroscopy of molecules using quantum light	0
Pressure-induced suppression of structural distortions manifested in group–subgroup relationships	0
Conceptual design of a beamline for classical XAFS spectroscopy at the future ultra low emittance storage ring PETRA IV	0
Cell-free and in-cell protein crystallization for high-throughput screening of structure determination	0
In situ 3D-ED in liquid to study the structural transformation of functional materials during electrochemical reactions: challenges and progress	0
Information-theoretic point-symmetry classifications and quantifications of electron diffraction spot patterns from crystals and quasicrystals	0
Time-resolved binding of initiation factor 1 to the ribosomal decoding center	0
Teaching crystallographic symmetry	0
Experimental visualization of conduction pathways and direct observation of fast lithium-ion diffusion in superionic conductors using neutron scattering	0
Observation of slight twisting in dislocation-free protein crystals	0
Determination of chemical composition and thickness of the very thin film in a heteroepitaxial multilayer by a combination of X-ray measurements	0
The structural revelation of the smallest functional pyruvate kinase from Entamoeba histolytica	0
Potential materials genome for mapping the continuous space of all periodic crystals	0
Transition metal elements in coloured beryl: application of anomalous X-ray scattering	0
Mind the miscibility gap: cationic disorder drives non-equilibrium phase transformations during electrochemical cycling of LiNi0.5Mn1.5O4	0
Biomolecular small-angle scattering: data reproducibility, benchmarking predictive methods and best practice reporting	0
PyEMAPS: an open source Python package for transmission electron diffraction simulations and crystallographic computing	0
Chiral substitutions for promoting polar materials discovery	0
Defect characterization of SiC wafers by polarized light microscopy under a condition slightly deviated from crossed Nicols	0