Acta Crystallographica A-Foundation and Advances

Article	Citations
Honeycombs – their variety, topology and symmetry	23
Origin of irregular X-ray mirage fringes from a bent, thin crystal	21
Semi-analytic theory of multiphonon effects on the static structure factors of warm solids	14
Bloch-wave interpretations of Gjønnes–Moodie lines in convergent-beam electron diffraction for non-symmorphic space-group crystals	13
The intrinsic group–subgroup structures of the Diamond and Gyroid minimal surfaces in their conventional unit cells	12
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. II. Experimental results	12
On incoherent diffractive imaging	11
Improvement of precision in refinements of structure factors using convergent-beam electron diffraction patterns taken at Bragg-excited conditions	11
Thermodynamics of lattice vibrations in non-cubic crystals: the zinc structure revisited	10
A computationally efficient quasi-harmonic study of ice polymorphs using the FFLUX force field	9
Growth forms of grid tilings	9
Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering	8
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry	8
On the frequency module of the hull of a primitive substitution tiling	8
Machine learning for classifying narrow-beam electron diffraction data	7
Delone lattice studies in C 3, the space of three complex variables	7
Salt or co-crystal ambivalent systems	6
Graph T–T (V1.0Beta), a program for embedding and visualizing periodic graphs in 3D Euclidean space	6
N-representable one-electron reduced density matrix reconstruction with frozen core electrons	6
Nucleation and growth of α-Ti(HPO4)2·H2O single crystal and its unprecedented structure determination from X-ray single-crystal data	6
Fracture-induced broken inversion symmetry and crack healing in organic crystals	6
A digital distance on the kisrhombille tiling	6
Crystal adaptronics: intersectional and collective properties and effects of dynamic molecular crystals	5
High-throughput and high-resolution powder diffraction measurement system for accelerating green materials science and engineering	5
Ordering phenomena in rare-earth oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)	5

Understanding the mechanism of polymer- and solvent-mediated mechanochemical synthesis of pharmaceutical polymorphic cocrystals using in situ CLASSIC NMR spectroscopy	5
The (3+1)-dimensional superspace description of an incommensurately modulated organic zwitterion dehydrate with solvent disorder	5
Automation of room-temperature data collection on BIOMAX beamline	5
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	5
Searching for a hydrogen-ordered counterpart of ice IV through in situ high-pressure powder neutron diffraction experiments	5
T cell receptor recognition of unusual antigens	4
The transmembrane protease TMPRSS2 as a potential target for treatment of virus infection	4
Tuning in: understanding cryptophyte light-harvesting antenna proteins	4
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane	4
Polarised neutrons for magnetic pair distribution function analysis: methods and applications	4
SBGrid: optimizing your software and compute environment to accelerate structural biology/cryo-EM research	4
Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1	4
Structural mechanism of peptide exchange of MHC-I complexes in antigen presentation	4
Driving knowledge discovery at RCSB.org: a one-stop-shop for exploration of experimentally determined PDB structures and computed structure models	4
In situ 3D-ED in liquid to study the structural transformation of functional materials during electrochemical reactions: challenges and progress	4
Crystallography online by the Bilbao Crystallographic Server: new online programs for the analysis of the symmetry of low-dimensional materials	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
Going beyond the conventional in operando XRD to understand battery cell performance under non-ambient conditions	3
The structural revelation of the smallest functional pyruvate kinase from Entamoeba histolytica	3
The preferential orientation of silicon phases formed during non-hydrostatic compression	3
Conceptual design of a beamline for classical XAFS spectroscopy at the future ultra low emittance storage ring PETRA IV	3
Structural mapping of the PEAK pseudokinase interactome identifies 14-3-3 as a molecular switch regulating PEAK3/Crk signalling	3
Complementary use of electron and X-ray microcrystallography to reveal quantum structural information of organic molecules	3
SO(3)-equivariant neural networks from cryo-EM particle picking	3
TmSb2O4Br: the first tetragonal lanthanoid oxoantimonate bromide without mixed-cation occupation	3
DIMAS: a web-based service crystallography submission and data management system	3
Advanced detector and data pipeline design to fully utilize experiments at next-generation synchrotron sources	3
STXM – scanning transmission X-ray microscopy	3
Thermal diffuse scattering of framework materials: a coarse-grained approach	2
Defect characterization of SiC wafers by polarized light microscopy under a condition slightly deviated from crossed Nicols	2
Ultrafast dynamics of photoexcited states in cerium oxide	2
Synthesis and characterization of gold nanorods	2
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	2
Electronic structure crystallography: capture excited/distorted states of optical materials experimentally	2
Enabling extensibility of an MX data acquisition platform with the Bluesky Python library	2
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	2
Defective CuI/InIII corners trapped in an ordered lattice of barium copper indium selenide	2
Understanding electronic structure and reactivity of halogen-bonded cocrystals – synergy of experiment and theory	2
Structure and physical properties of Mg-based metallic glasses prepared by a melt spinning technique	2
Crystal structure of fungal tannase from Aspergillus niger	2
Crystal structure of a MarR family protein from the psychrophilic bacterium Paenisporosarcina sp. TG-14 in complex with a lipid-like molecule	2
Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	2
Development of gigapixel imaging XAFS	2
Uncovering new ligandable sites in STEP (striatal-enriched protein tyrosine phosphatase)	2
Half way to hypusine. Molecular basis of deoxyhypusination	2
Deciphering the sequence of phase transitions in KNiCl3	2
Combined use of X-ray diffraction and microtomography for accurate cement hydration studies	2
Complex magnetic structures in EuPtAs	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
Measureable order parameters from small-beam diffraction measurements on glasses	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
Cryo-EM structure of the soluble formate dehydrogenase from Rhodobacter capsulatus	2
Interplay of short-range orientational order and lattice dynamics in negative thermal expansion material Cd(CN)2	1
Towards atomic scale multi-elemental quantification based on inelastic electron scattering physics	1
Experimental visualization of conduction pathways and direct observation of fast lithium-ion diffusion in superionic conductors using neutron scattering	1
Cell-free and in-cell protein crystallization for high-throughput screening of structure determination	1
Discovery and structural characterization of novel nanobodies targeting the Cavin1 complex essential for forming caveola membrane vesicles	1
Synthesising diamond and lonsdaleite by shear-induced phase transformations	1
Capillary crystallization: a versatile tool for chemical crystallography and absolute configuration determination	1
Uranium oxide hydrate materials with secondary metal ions: revealing complex crystal structures using synchrotron crystallographic beamlines	1
Layer groups associated with 2-way 2-fold fabrics	1
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	1
BioMAX: the flagship macromolecular crystallography beamline at MAX IV	1
Hyperpolarization of biomolecules in eutectic crystals at room temperature using photo-excited electron	1
Micro-focus Raman studies on elastically flexible small peptide crystals	1
Discovery of novel proton conductors with 'intrinsic oxygen vacancy'	1
Ultrafast light soft martensitic materials	1
Saturated nitrile solids on Titan	1
The outreach and education programme of the IUCr	1
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	1
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	1
High-energy isochoric synthesis of elusive iodoplumbic acid	1
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	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
Transition metal elements in coloured beryl: application of anomalous X-ray scattering	1
Structural biology response to biomedical threats	1
Image-guided diffraction at Diamond Light Source: the DIAD beamline	1
Structural interpretation into catalysis based on substrates' poses in class C β-lactamase ACC-1	1
Emergent helical texture of electric dipoles	1
Biomolecular small-angle scattering: data reproducibility, benchmarking predictive methods and best practice reporting	1
Reducing errors and increasing accuracy of small-molecule crystal structures	1
Determining complex spatial patterns during crystallisation of soft matter	1
Mineralogical-crystallographic approach enabling new paths towards a sustainable use of resources	1
Using ionic liquids to determine the origin of specific ion-binding modulation of key protein properties	1
Structural and physical properties of R-BTBT-CONHC14H29 (R = H, C8H17)	1
Ligand-induced room-temperature dual emission in two-dimensional silver cluster-assembled material	1
A decade of quantitative mineralogy on Mars: results from the CheMin X-ray diffractometer on the Mars Science Laboratory rover Curiosity	1
Deep learning for improving grain mapping from near-field high-energy diffraction microscopy	1
Dual-axis aligned artificial water channels formed via water-induced self-assembly	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
Multi-faceted dynamic behaviour of a flexible metal–organic framework through post-synthetic modification	1
Science during a pandemic – remote access to neutron diffractometers	1
Accurate crystal structures of ices from X-ray and ED with Hirshfeld atom refinement	1
HIP bonded Fe–Cu interface shows anomalous Cu phase	1
Pushing the limits of structure prediction with non-canonical amino acids	1
High-throughput scattering data processing on field-programmable gate arrays	1
Mechanoresponsive luminescence switching by polymorphs and doped crystals of donor–acceptor-type benzothiadiazoles	1
Portable energy-dispersive X-ray diffraction analyser for lunar applications	1
Investigating shear-sensitive samples with laboratory SAXS	1
Evaluation of surrogate models for the incorporation of tetravalent actinides in monazite- and zircon-type phases for long-term disposal	1
New perovskites from high-pressure synthesis	1
Monkeypox virus C7L is a Bcl-2-fold protein that binds human pro-apoptotic Bcl-2 proteins	1
Teaching crystallographic symmetry	1
Structural plasticity in I-Ag7 links autoreactivity to hybrid insulin peptides in type I diabetes	1
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	1
From crystallographic 'failures' to novel insights in plant growth and defence regulation	1
Making the most of crystal polymorphism in fragment-based lead discovery	1
Situations where small-molecule raw data should be made available	1
Evolution of elliptical SAXS patterns from aligned objects and lamellar arrays during deformation	1
Characterisation of NiRAN domain of RNA-dependent RNA polymerase of SARS-CoV-2 as a potential drug target and a novel kinase	1
High-pressure research and crystallography: the great unification	1
The L-phase precipitates in Al–Mg–Si–Cu alloys	1
Biocrystallography as a means of communication with the general public on the coronavirus and the RNA world	1
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	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
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	1
On the accuracy of DFT methods for supporting the discovery of mechanically compliant molecular crystals using predicted face-dependent Young's moduli	1
Mixed crystals of linear oleogelator molecules: existence criteria	1
Time-resolved binding of initiation factor 1 to the ribosomal decoding center	1
Simultaneous DSC and structural studies of liposomes	1
Correlative imaging with multi-modal scanning probe microscopy	1
The study for understanding the reaction mechanism of tRNA seleno-modification enzyme SelU	1
Time-resolved in situ X-ray diffraction of CO2 adsorption on porous coordination polymer	1
Increasing the structural complexity of lantern-type coordination cages	1
Development of giant crystalline molecular rotor mediated by bulky N-heterocyclic carbene gold(I) complex	1

Time-resolved nanobeam X-ray diffraction of a relaxor ferroelectric single crystal under an alternating electric field	1
Development of a drug screening pipeline on SPring-8 macromolecular crystallography beamlines	1
The crystal structure of the UBR box of UBR4 reveals type-2 N-degron binding mechanism	1
Development of magnetic (Fe–Ga) multi-layered thin films for applications in magnetic sensor devices	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
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	1
Thermoresponsive crystals of N-alkylated diketopyrrolopyrrole dyes	1
Using mesoporous metal–organic frameworks to immobilize hydrogen-bond donating (HBD) organocatalysts	1
A continuous map of the Cambridge Structural Database in meaningful coordinates	1
Time-resolved structural studies for nanoparticle systems and their early event dynamics in biological environments: system investigations for nanomedical applications	1
Statistical analysis of coordination environments of metals in organic and organometallic crystals	1
In situ energy-dispersive X-ray diffraction microscopy with the Planetary Instrument for X-ray Lithochemistry (PIXL) on Mars	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
CO-induced dynamic behaviour of Al2O3-supported Pd nanoparticles at room temperature	0
SARS CoV-2 vaccine particle structure via contrast variation SANS, SAXS and cryo-EM	0
Molecular recognition of amino acids and neurotransmitters by cucurbituril in water	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
From macro to nano crystals of cyclodextrin metal–organic frameworks and their use as optical functional materials	0
Improved modelling of 3D ED data for studying charge distribution of iron(III) acetyl acetonate	0
Automatic data analysis on ESRF MX beamlines	0
Periodic graphs with coincident edges: folding-ladder and related graphs	0
Structural studies of SARS-CoV-2 proteins and their complexes	0
Probing selectivity in sugar transport proteins	0
Generalized Dzyaloshinskii–Moriya interaction and chirality-induced phenomena in chiral crystals	0
Diffraction studies of meteorites at the Australian Synchrotron	0
Combining 3D electron diffraction with scanning electron diffraction to investigate nanocrystals within a long-acting injectable pharmaceutical formulation	0
Hydration-dependent structural phase transitions and magnetism of platinum vacancy-ordered double perovskites	0
Towards a better understanding of the role of Annexin A2–S100A10 tetramer in diseases	0
Tape drive sample delivery system for time-resolved serial femtosecond crystallography	0
Bridging the gap between XRD, domain-specific and general machine learning analysis	0
Zernike3Deep: a semi-classical AI approach for improved heterogeneity analysis	0
Perfect precise colorings of plane semiregular tilings	0
Grain structure evolution during heat treatment of a semisolid Al–Cu alloy	0
Luminescent materials at high-pressure: why crystal orientation matters	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
Masterful sample grilling starts here	0
An experimental comparison between X-ray ptychography and holography for 3D imaging of biological tissues	0
Building bridges between X-ray diffraction and NMR spectroscopy: boron electric field gradients in chlorinated carboranes	0
Negative linear compressibility in Se under pressure	0
From capture to catalysis: insights from atomistic simulations into MOF and COF host–guest interactions and guest dynamics	0
Cloud-based online XRD laboratories and synchronized remote collaboration platform for education and training	0
Investigation of σ-hole based chalcogen and halogen bonding in cocrystals	0
Macromolecular cryo-crystallography on the XtaLAB Synergy-ED	0
Crystallographic and in silico screening for inhibitors of heparanase	0
Slice'N'Dice: maximising the value of predicted models for structural biologists	0
Fantastic SSBs and where to find them	0
Avenues for cocrystallisation of pharmaceuticals using solid-state methods	0
Cateretê: the coherent X-ray scattering beamline at the fourth-generation synchrotron facility SIRIUS	0
Structural analysis of CUB domain containing protein-1	0
Including mosaicity effects in the dynamical refinement against 3D ED data	0
Structural and functional characterization of Enteroviral 2C protein, an RNA-stimulated ATPase	0
General oscillation strength of core–shell electron excitation by fast electrons based on Dirac solutions	0
Identification and structural analysis of a novel two-component toxin complex reveals the assembly of membrane pores regulated by proteolytic activation	0
Room-temperature type-II multiferroic phase induced by pressure in cupric oxide	0
Crystal structure and possible biological role of Rv0398c: a hypothetical protein of Mycobacterium tuberculosis	0
In situ X-ray diffraction study of shock and release dynamics of SiO2	0
Charge-compensation mechanism and structural evolution in metal-ion battery cathodes studied by XAS and XRD	0
Protein–Ligand Binding Database (PLBD) of crystal structures and intrinsic thermodynamic parameters	0
How crystallography informs the design of functional materials	0
SAXS for the study of molecular mechanisms involved in tuberculosis disease	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
Accelerator based 3D structure determination with MeV electrons	0
Structure of the ectodomains of two atypical E2 glycoprotein pestiviruses	0
In situ study of the activation process of MOF-74 using three-dimensional electron diffraction	0
Structural basis of biased T cell recognition of immune-dominant epitope of SARS-CoV-2 spike protein	0
'Spatially resolved crystallography': 3DXRD for discovering ferroic domain structures	0
Mechanical flexibility in molecular crystals with nitrile...nitrile dipolar interactions: computational prediction and experimental validation	0
High-resolution X-ray tomography via burst ptychography	0
Structural evolution and pressure-driven phase transitions in hydrated borates	0
Direct location of guest molecules in porous crystalline materials by three-dimensional electron diffraction	0
Structural and target DNA-binding studies of Grainyhead/CP2 transcription factors	0
NF-Y acts as a molecular platform to guide the binding of the ER stress response factor to the ER-stress elements ERSE and ERSE II. A case of molecular 'asymmetric symmetry'	0
High-resolution powder diffraction data collection on beamline ID22 at ESRF	0
A periodic calculation for a periodic system: using projector-augmented wave densities as a basis for Hirshfeld atom refinement	0
Uniting aspherical atom models and NoMoRe refinement in AAM_NoMoRe approach: enhanced results and server applications	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
Structural basis of 3′-end poly(A) RNA recognition by LARP1	0
Challenging shortcomings in the field of 3D ED: a new cross-platform solution for various experimental setups	0
Large pore silica adjuvant for oral vaccines	0
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis	0
Developing MOZi, a chimeric MOF protein to aid structure-based drug design in MOZ	0
Ternary [Cu(dipicolinate)(diimine)] complexes. Structural features versus physiochemically relevant properties and cytotoxic activity	0
Metal–organic and covalent–organic frameworks (MOFs and COFs): from single crystals to novel functional materials	0
Cryo-EM structures of metazoan AAA protein Bcs1L captured in ATP hydrolysis suggested a concerted membrane translocation mechanism of folded substrate	0
Coherent magnetic excitations in the Kondo semimetal CeFe2Al10	0
Atomic ionisation determined by dynamical kappa refinement against 3D electron diffraction data	0
Towards formally validated crystallographic software	0
In search of new interactions for rhenium metal-based pharmaceutical development	0
Is H/D isotopic replacement always neutral to crystal structures?	0