Acta Crystallographica A-Foundation and Advances

Article	Citations
Origin of irregular X-ray mirage fringes from a bent, thin crystal	23
Semi-analytic theory of multiphonon effects on the static structure factors of warm solids	21
The intrinsic group–subgroup structures of the Diamond and Gyroid minimal surfaces in their conventional unit cells	13
Bloch-wave interpretations of Gjønnes–Moodie lines in convergent-beam electron diffraction for non-symmorphic space-group crystals	13
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. II. Experimental results	12
Improvement of precision in refinements of structure factors using convergent-beam electron diffraction patterns taken at Bragg-excited conditions	12
Thermodynamics of lattice vibrations in non-cubic crystals: the zinc structure revisited	11
On incoherent diffractive imaging	11
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry	9
On the frequency module of the hull of a primitive substitution tiling	9
A computationally efficient quasi-harmonic study of ice polymorphs using the FFLUX force field	9
Growth forms of grid tilings	9
Delone lattice studies in C 3, the space of three complex variables	8
Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering	8
N-representable one-electron reduced density matrix reconstruction with frozen core electrons	7
Graph T–T (V1.0Beta), a program for embedding and visualizing periodic graphs in 3D Euclidean space	7
Machine learning for classifying narrow-beam electron diffraction data	7
Fracture-induced broken inversion symmetry and crack healing in organic crystals	6
A digital distance on the kisrhombille tiling	6
Salt or co-crystal ambivalent systems	6
Ordering phenomena in rare-earth oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)	6
Crystal adaptronics: intersectional and collective properties and effects of dynamic molecular crystals	5
The (3+1)-dimensional superspace description of an incommensurately modulated organic zwitterion dehydrate with solvent disorder	5
Searching for a hydrogen-ordered counterpart of ice IV through in situ high-pressure powder neutron diffraction experiments	5
Automation of room-temperature data collection on BIOMAX beamline	5

High-throughput and high-resolution powder diffraction measurement system for accelerating green materials science and engineering	5
Understanding the mechanism of polymer- and solvent-mediated mechanochemical synthesis of pharmaceutical polymorphic cocrystals using in situ CLASSIC NMR spectroscopy	5
The transmembrane protease TMPRSS2 as a potential target for treatment of virus infection	5
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	5
Tuning in: understanding cryptophyte light-harvesting antenna proteins	4
Polarised neutrons for magnetic pair distribution function analysis: methods and applications	4
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane	4
SO(3)-equivariant neural networks from cryo-EM particle picking	4
Crystallography online by the Bilbao Crystallographic Server: new online programs for the analysis of the symmetry of low-dimensional materials	4
Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1	4
T cell receptor recognition of unusual antigens	4
Driving knowledge discovery at RCSB.org: a one-stop-shop for exploration of experimentally determined PDB structures and computed structure models	4
Structural mechanism of peptide exchange of MHC-I complexes in antigen presentation	4
In situ 3D-ED in liquid to study the structural transformation of functional materials during electrochemical reactions: challenges and progress	4
SBGrid: optimizing your software and compute environment to accelerate structural biology/cryo-EM research	4
Deep learning-based predictions of electron-density maps from input Patterson maps	4
High-pressure behavior and metastable phases of Si x Ge1−x alloys	4
Conceptual design of a beamline for classical XAFS spectroscopy at the future ultra low emittance storage ring PETRA IV	3
Advanced detector and data pipeline design to fully utilize experiments at next-generation synchrotron sources	3
The structural revelation of the smallest functional pyruvate kinase from Entamoeba histolytica	3
DIMAS: a web-based service crystallography submission and data management system	3
Going beyond the conventional in operando XRD to understand battery cell performance under non-ambient conditions	3
TmSb2O4Br: the first tetragonal lanthanoid oxoantimonate bromide without mixed-cation occupation	3
Complementary use of electron and X-ray microcrystallography to reveal quantum structural information of organic molecules	3
Crystal structure of fungal tannase from Aspergillus niger	3
STXM – scanning transmission X-ray microscopy	3
The preferential orientation of silicon phases formed during non-hydrostatic compression	3
Structural mapping of the PEAK pseudokinase interactome identifies 14-3-3 as a molecular switch regulating PEAK3/Crk signalling	3
Ultrafast dynamics of photoexcited states in cerium oxide	3
Development of gigapixel imaging XAFS	2
Defective CuI/InIII corners trapped in an ordered lattice of barium copper indium selenide	2
Synthesis and characterization of gold nanorods	2
Complex magnetic structures in EuPtAs	2
Understanding electronic structure and reactivity of halogen-bonded cocrystals – synergy of experiment and theory	2
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	2
Mixed crystals of linear oleogelator molecules: existence criteria	2
Measureable order parameters from small-beam diffraction measurements on glasses	2
Uncovering new ligandable sites in STEP (striatal-enriched protein tyrosine phosphatase)	2
Crystal structure of a MarR family protein from the psychrophilic bacterium Paenisporosarcina sp. TG-14 in complex with a lipid-like molecule	2
Deciphering the sequence of phase transitions in KNiCl3	2
Combined use of X-ray diffraction and microtomography for accurate cement hydration studies	2
Defect characterization of SiC wafers by polarized light microscopy under a condition slightly deviated from crossed Nicols	2
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	2
Half way to hypusine. Molecular basis of deoxyhypusination	2
Electronic structure crystallography: capture excited/distorted states of optical materials experimentally	2
Synthesis and application of chiral metallosupramolecular materials	2
Application of cryo-EM to understanding of peptide and small-molecule binding to G protein-coupled receptors	2
The in vivo macromolecular crystallography platform at Nagoya University	2
Crystal packing and pore topology in co-crystals based on C60 fullerene in combination with other molecules	2
Structure and physical properties of Mg-based metallic glasses prepared by a melt spinning technique	2

Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	2
Thermal diffuse scattering of framework materials: a coarse-grained approach	2
Layer groups associated with 2-way 2-fold fabrics	2
Enabling extensibility of an MX data acquisition platform with the Bluesky Python library	2
Cryo-EM structure of the soluble formate dehydrogenase from Rhodobacter capsulatus	2
The study for understanding the reaction mechanism of tRNA seleno-modification enzyme SelU	1
Uranium oxide hydrate materials with secondary metal ions: revealing complex crystal structures using synchrotron crystallographic beamlines	1
Image-guided diffraction at Diamond Light Source: the DIAD beamline	1
Development of giant crystalline molecular rotor mediated by bulky N-heterocyclic carbene gold(I) complex	1
Biomolecular small-angle scattering: data reproducibility, benchmarking predictive methods and best practice reporting	1
Simultaneous DSC and structural studies of liposomes	1
Hyperpolarization of biomolecules in eutectic crystals at room temperature using photo-excited electron	1
The crystal structure of the UBR box of UBR4 reveals type-2 N-degron binding mechanism	1
Science during a pandemic – remote access to neutron diffractometers	1
Discovery of novel proton conductors with 'intrinsic oxygen vacancy'	1
Increasing the structural complexity of lantern-type coordination cages	1
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	1
Ultrafast light soft martensitic materials	1
Saturated nitrile solids on Titan	1
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	1
Development of magnetic (Fe–Ga) multi-layered thin films for applications in magnetic sensor devices	1
Evaluation of surrogate models for the incorporation of tetravalent actinides in monazite- and zircon-type phases for long-term disposal	1
Time-resolved nanobeam X-ray diffraction of a relaxor ferroelectric single crystal under an alternating electric field	1
Teaching crystallographic symmetry	1
The L-phase precipitates in Al–Mg–Si–Cu alloys	1
Characterisation of NiRAN domain of RNA-dependent RNA polymerase of SARS-CoV-2 as a potential drug target and a novel kinase	1
Mechanoresponsive luminescence switching by polymorphs and doped crystals of donor–acceptor-type benzothiadiazoles	1
Evolution of elliptical SAXS patterns from aligned objects and lamellar arrays during deformation	1
Biocrystallography as a means of communication with the general public on the coronavirus and the RNA world	1
New perovskites from high-pressure synthesis	1
High-pressure research and crystallography: the great unification	1
Determining complex spatial patterns during crystallisation of soft matter	1
Structural and physical properties of R-BTBT-CONHC14H29 (R = H, C8H17)	1
Emergent helical texture of electric dipoles	1
A decade of quantitative mineralogy on Mars: results from the CheMin X-ray diffractometer on the Mars Science Laboratory rover Curiosity	1
Ligand-induced room-temperature dual emission in two-dimensional silver cluster-assembled material	1
Time-resolved binding of initiation factor 1 to the ribosomal decoding center	1
Situations where small-molecule raw data should be made available	1
Multi-faceted dynamic behaviour of a flexible metal–organic framework through post-synthetic modification	1
Cell-free and in-cell protein crystallization for high-throughput screening of structure determination	1
BioMAX: the flagship macromolecular crystallography beamline at MAX IV	1
Accurate crystal structures of ices from X-ray and ED with Hirshfeld atom refinement	1
Simultaneous X-ray ptychography, X-ray fluorescence and X-ray excited optical luminescence experiments in metal halide perovskites: correlating morphology, chemical heterogeneity and optoelectronic pr	1
Identification and validation of valuable low-pLDDT regions in AlphaFold predictions	1
Transition metal elements in coloured beryl: application of anomalous X-ray scattering	1
Thermoresponsive crystals of N-alkylated diketopyrrolopyrrole dyes	1
Dual-axis aligned artificial water channels formed via water-induced self-assembly	1
High-throughput scattering data processing on field-programmable gate arrays	1
Development of a drug screening pipeline on SPring-8 macromolecular crystallography beamlines	1
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	1
Loose polymorphs of DL-menthol and their compression	1
Nanoscale spatial mapping of chemical state and bonding variations using XANES and EXAFS: fast reduced dose measurements using sparse sampling approaches	1
Time-resolved structural studies for nanoparticle systems and their early event dynamics in biological environments: system investigations for nanomedical applications	1
Capillary crystallization: a versatile tool for chemical crystallography and absolute configuration determination	1
The outreach and education programme of the IUCr	1
Xshuffle: a statistical sampling toolbox for enhancing the accuracy of TR-SFX data analysis	1
Solid-state spiro-rhodamines: rational design of photoactive materials	1
In situ energy-dispersive X-ray diffraction microscopy with the Planetary Instrument for X-ray Lithochemistry (PIXL) on Mars	1
Towards atomic scale multi-elemental quantification based on inelastic electron scattering physics	1
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	1
Interplay of short-range orientational order and lattice dynamics in negative thermal expansion material Cd(CN)2	1
Deep learning for improving grain mapping from near-field high-energy diffraction microscopy	1
Portable energy-dispersive X-ray diffraction analyser for lunar applications	1
Investigating shear-sensitive samples with laboratory SAXS	1
On the accuracy of DFT methods for supporting the discovery of mechanically compliant molecular crystals using predicted face-dependent Young's moduli	1
Using mesoporous metal–organic frameworks to immobilize hydrogen-bond donating (HBD) organocatalysts	1
Mineralogical-crystallographic approach enabling new paths towards a sustainable use of resources	1
Statistical analysis of coordination environments of metals in organic and organometallic crystals	1
Pushing the limits of structure prediction with non-canonical amino acids	1
Making the most of crystal polymorphism in fragment-based lead discovery	1
Structural plasticity in I-Ag7 links autoreactivity to hybrid insulin peptides in type I diabetes	1
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	1
Time-resolved in situ X-ray diffraction of CO2 adsorption on porous coordination polymer	1
Micro-focus Raman studies on elastically flexible small peptide crystals	1
High-energy isochoric synthesis of elusive iodoplumbic acid	1
Monkeypox virus C7L is a Bcl-2-fold protein that binds human pro-apoptotic Bcl-2 proteins	1
Electron–phonon coupling mediated self-trapped exciton emission in organic–inorganic hybrid manganese halides	1
Exploration of primary and secondary sphere coordination by unsymmetric pyrimidine sulfanyl and aminopyrazole ligands	1
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	1
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	1

Discovery and structural characterization of novel nanobodies targeting the Cavin1 complex essential for forming caveola membrane vesicles	1
Advancing materials characterization using neutron diffraction at ORNL's Spallation Neutron Source (SNS), the High-Flux Isotope Reactor (HFIR) and the Future Second Target Station (STS)	1
Routine room-temperature protein structure determination in situ on Diamond beamline VMXi: current status and recent developments	1
Using ionic liquids to determine the origin of specific ion-binding modulation of key protein properties	1
HIP bonded Fe–Cu interface shows anomalous Cu phase	1
Structural interpretation into catalysis based on substrates' poses in class C β-lactamase ACC-1	1
From crystallographic 'failures' to novel insights in plant growth and defence regulation	1
Correlative imaging with multi-modal scanning probe microscopy	1
Reducing errors and increasing accuracy of small-molecule crystal structures	1
Structural biology response to biomedical threats	1
Experimental visualization of conduction pathways and direct observation of fast lithium-ion diffusion in superionic conductors using neutron scattering	1
A continuous map of the Cambridge Structural Database in meaningful coordinates	1
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	1
Synthesising diamond and lonsdaleite by shear-induced phase transformations	1
Coherent magnetic excitations in the Kondo semimetal CeFe2Al10	0
Cryo-EM structures of metazoan AAA protein Bcs1L captured in ATP hydrolysis suggested a concerted membrane translocation mechanism of folded substrate	0
Metal–oxygen bond anisotropy and size effects scattering in V1−x M x	0
Towards formally validated crystallographic software	0
Hydration-dependent structural phase transitions and magnetism of platinum vacancy-ordered double perovskites	0
Expanding the crystallographer's toolbox	0
Is H/D isotopic replacement always neutral to crystal structures?	0
A periodic calculation for a periodic system: using projector-augmented wave densities as a basis for Hirshfeld atom refinement	0
Automatic decision on optimal resolution cut-off with PAIREF	0
SARS CoV-2 vaccine particle structure via contrast variation SANS, SAXS and cryo-EM	0
General oscillation strength of core–shell electron excitation by fast electrons based on Dirac solutions	0
MicroMAX at the MAX IV Laboratory: macromolecular crystallography in northern Europe is heating up	0
The crystal structure of entrapped 8-hydroxyquinoline molecules in an interleaved hydrogen-bonded zigzag channel of sulfamethoxazole molecules	0
Molecular recognition of amino acids and neurotransmitters by cucurbituril in water	0
Automatic data analysis on ESRF MX beamlines	0
From macro to nano crystals of cyclodextrin metal–organic frameworks and their use as optical functional materials	0
Using crystallographic databases in undergraduate education – the example of the Cambridge Structural Database	0
Generalized Dzyaloshinskii–Moriya interaction and chirality-induced phenomena in chiral crystals	0
Structural studies of repressors from SorC/DeoR family	0
Mosquito meets crystal	0
Towards a better understanding of the role of Annexin A2–S100A10 tetramer in diseases	0
TTF-based hydrogen-bonded organic frameworks: porous conducting crystalline materials	0
Fighting the enemy – understanding SARS-CoV-2 and its disease-causing mechanisms	0
Tape drive sample delivery system for time-resolved serial femtosecond crystallography	0
Perfect precise colorings of plane semiregular tilings	0
Zernike3Deep: a semi-classical AI approach for improved heterogeneity analysis	0
Luminescent materials at high-pressure: why crystal orientation matters	0
Grain structure evolution during heat treatment of a semisolid Al–Cu alloy	0
Structure of the complex of camel peptidoglycan recognition protein-short (PGRP-S) with heptanoic acid at 2.15 Å resolution	0
Sc2Cl2[B2O5]: an unexpected scandium chloride oxoborate	0
Redefining the characterization paradigm of RNA lipid nanoparticles	0
An experimental comparison between X-ray ptychography and holography for 3D imaging of biological tissues	0
Structural studies of SARS-CoV-2 proteins and their complexes	0
Structural and biophysical characterization of the Vibrio cholerae ferrous iron transport protein B (FeoB)	0
Structural basis of biased T cell recognition of immune-dominant epitope of SARS-CoV-2 spike protein	0
Diffraction studies of meteorites at the Australian Synchrotron	0
Non-covalent interactions and morphologies as tools for structure-driven informatics: rationalizing the behavior of ionic liquids	0
Cloud-based online XRD laboratories and synchronized remote collaboration platform for education and training	0
Ultra-fast rotor dynamics and gas reorientation in crystalline nanoporous architectures	0
Crystallographic and in silico screening for inhibitors of heparanase	0
Investigation of σ-hole based chalcogen and halogen bonding in cocrystals	0
Avenues for cocrystallisation of pharmaceuticals using solid-state methods	0
Serial electron diffraction: strategies for data collection and analysis	0
Unravelling the dynamics of biomolecules by serial crystallography at X-ray free-electron lasers	0
Structural and functional characterization of Enteroviral 2C protein, an RNA-stimulated ATPase	0
PDB-wide model validation using deep learning based predictions of distances and contacts	0
Utilizing data-driven tools to investigate the relative stability of solid forms	0
Room-temperature type-II multiferroic phase induced by pressure in cupric oxide	0
Identification and structural analysis of a novel two-component toxin complex reveals the assembly of membrane pores regulated by proteolytic activation	0
In situ X-ray diffraction study of shock and release dynamics of SiO2	0
Crystal structure and possible biological role of Rv0398c: a hypothetical protein of Mycobacterium tuberculosis	0
Protein–Ligand Binding Database (PLBD) of crystal structures and intrinsic thermodynamic parameters	0
Charge-compensation mechanism and structural evolution in metal-ion battery cathodes studied by XAS and XRD	0
SAXS for the study of molecular mechanisms involved in tuberculosis disease	0
How crystallography informs the design of functional materials	0
Imaging X-ray diffracted echoes with tele-ptychography	0
Quantification of local atomic order in Cu x Zr100−x metallic glasses using electron nano-diffraction	0
The local structure of oxygen deficient perovskite Sr2ScGaO5 polymorphs explored by total neutron scattering and EXAFS	0
Structure of the ectodomains of two atypical E2 glycoprotein pestiviruses	0
Structural analysis of CUB domain containing protein-1	0
My cryo-EM path to Genentech	0
Negative linear compressibility in Se under pressure	0
Structural basis of 3′-end poly(A) RNA recognition by LARP1	0
The pressure–temperature phase diagram of tetramorphic pyrazinamide by vapour pressure and synchrotron X-ray diffraction under pressure	0
Mechanical flexibility in molecular crystals with nitrile...nitrile dipolar interactions: computational prediction and experimental validation	0
The tin content of lead inclusions in ancient tin-bronze artefacts: a time-dependent process?	0
Direct location of guest molecules in porous crystalline materials by three-dimensional electron diffraction	0
High-resolution X-ray tomography via burst ptychography	0
Structural evolution of nanoparticles under realistic conditions observed with Bragg coherent X-ray imaging	0
High-resolution powder diffraction data collection on beamline ID22 at ESRF	0
Metal centres as electron donors in σ-hole interactions	0
Structural characterization of two-compartment lipid nanoparticles using small-angle X-ray/neutron scattering	0
Crystal structure and charge-density analysis at interfaces and domain boundaries using convergent-beam electron diffraction	0
Three-dimensional structure determination via correlated scattering with an X-ray laser	0
Statistically guided high-throughput polymorph screening of ROY	0
Large pore silica adjuvant for oral vaccines	0
In situ refinement restraints from quantum mechanical methods	0
Developing MOZi, a chimeric MOF protein to aid structure-based drug design in MOZ	0
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis	0
Metal–organic and covalent–organic frameworks (MOFs and COFs): from single crystals to novel functional materials	0
Ternary [Cu(dipicolinate)(diimine)] complexes. Structural features versus physiochemically relevant properties and cytotoxic activity	0