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
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. II. Experimental results	12
The intrinsic group–subgroup structures of the Diamond and Gyroid minimal surfaces in their conventional unit cells	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
On the frequency module of the hull of a primitive substitution tiling	8
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
Delone lattice studies in C 3, the space of three complex variables	7
Machine learning for classifying narrow-beam electron diffraction data	7
A digital distance on the kisrhombille tiling	6
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
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

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
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
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
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
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
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
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
Transition metal elements in coloured beryl: application of anomalous X-ray scattering	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
Emergent helical texture of electric dipoles	1
Structural biology response to biomedical threats	1
Structural interpretation into catalysis based on substrates' poses in class C β-lactamase ACC-1	1
Mineralogical-crystallographic approach enabling new paths towards a sustainable use of resources	1
Reducing errors and increasing accuracy of small-molecule crystal structures	1
Determining complex spatial patterns during crystallisation of soft matter	1
Structural and physical properties of R-BTBT-CONHC14H29 (R = H, C8H17)	1
Using ionic liquids to determine the origin of specific ion-binding modulation of key protein properties	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
Dual-axis aligned artificial water channels formed via water-induced self-assembly	1
Deep learning for improving grain mapping from near-field high-energy diffraction microscopy	1
Multi-faceted dynamic behaviour of a flexible metal–organic framework through post-synthetic modification	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
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
High-throughput scattering data processing on field-programmable gate arrays	1
Using mesoporous metal–organic frameworks to immobilize hydrogen-bond donating (HBD) organocatalysts	1
HIP bonded Fe–Cu interface shows anomalous Cu phase	1
Pushing the limits of structure prediction with non-canonical amino acids	1
Investigating shear-sensitive samples with laboratory SAXS	1
Statistical analysis of coordination environments of metals in organic and organometallic crystals	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
Monkeypox virus C7L is a Bcl-2-fold protein that binds human pro-apoptotic Bcl-2 proteins	1
Cell-free and in-cell protein crystallization for high-throughput screening of structure determination	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
From crystallographic 'failures' to novel insights in plant growth and defence regulation	1
Teaching crystallographic symmetry	1
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	1
Characterisation of NiRAN domain of RNA-dependent RNA polymerase of SARS-CoV-2 as a potential drug target and a novel kinase	1
Making the most of crystal polymorphism in fragment-based lead discovery	1
Evolution of elliptical SAXS patterns from aligned objects and lamellar arrays during deformation	1
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	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
Exploration of primary and secondary sphere coordination by unsymmetric pyrimidine sulfanyl and aminopyrazole ligands	1
Electron–phonon coupling mediated self-trapped exciton emission in organic–inorganic hybrid manganese halides	1
On the accuracy of DFT methods for supporting the discovery of mechanically compliant molecular crystals using predicted face-dependent Young's moduli	1
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	1
Time-resolved binding of initiation factor 1 to the ribosomal decoding center	1
Mixed crystals of linear oleogelator molecules: existence criteria	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
Time-resolved nanobeam X-ray diffraction of a relaxor ferroelectric single crystal under an alternating electric field	1
Image-guided diffraction at Diamond Light Source: the DIAD beamline	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
Development of magnetic (Fe–Ga) multi-layered thin films for applications in magnetic sensor devices	1
Biomolecular small-angle scattering: data reproducibility, benchmarking predictive methods and best practice reporting	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
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	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
Thermoresponsive crystals of N-alkylated diketopyrrolopyrrole dyes	1
A continuous map of the Cambridge Structural Database in meaningful coordinates	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
Xshuffle: a statistical sampling toolbox for enhancing the accuracy of TR-SFX data analysis	1
Experimental visualization of conduction pathways and direct observation of fast lithium-ion diffusion in superionic conductors using neutron scattering	1
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
Synthesising diamond and lonsdaleite by shear-induced phase transformations	1
Discovery and structural characterization of novel nanobodies targeting the Cavin1 complex essential for forming caveola membrane vesicles	1
Uranium oxide hydrate materials with secondary metal ions: revealing complex crystal structures using synchrotron crystallographic beamlines	1
Capillary crystallization: a versatile tool for chemical crystallography and absolute configuration determination	1
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	1

Layer groups associated with 2-way 2-fold fabrics	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
Ultrafast light soft martensitic materials	1
Structural plasticity in I-Ag7 links autoreactivity to hybrid insulin peptides in type I diabetes	1
Micro-focus Raman studies on elastically flexible small peptide crystals	1
Discovery of novel proton conductors with 'intrinsic oxygen vacancy'	1
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	1
Situations where small-molecule raw data should be made available	1
Saturated nitrile solids on Titan	1
The outreach and education programme of the IUCr	1
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	1
High-pressure research and crystallography: the great unification	1
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	1
High-energy isochoric synthesis of elusive iodoplumbic acid	1
Large pore silica adjuvant for oral vaccines	0
Challenging shortcomings in the field of 3D ED: a new cross-platform solution for various experimental setups	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
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
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
SARS CoV-2 vaccine particle structure via contrast variation SANS, SAXS and cryo-EM	0
Structural analysis of CUB domain containing protein-1	0
CO-induced dynamic behaviour of Al2O3-supported Pd nanoparticles at room temperature	0
The crystal structure of entrapped 8-hydroxyquinoline molecules in an interleaved hydrogen-bonded zigzag channel of sulfamethoxazole molecules	0
General oscillation strength of core–shell electron excitation by fast electrons based on Dirac solutions	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
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
Improved modelling of 3D ED data for studying charge distribution of iron(III) acetyl acetonate	0
Generalized Dzyaloshinskii–Moriya interaction and chirality-induced phenomena in chiral crystals	0
Periodic graphs with coincident edges: folding-ladder and related graphs	0
Probing selectivity in sugar transport proteins	0
Towards a better understanding of the role of Annexin A2–S100A10 tetramer in diseases	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
Bridging the gap between XRD, domain-specific and general machine learning analysis	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
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
Cloud-based online XRD laboratories and synchronized remote collaboration platform for education and training	0
A periodic calculation for a periodic system: using projector-augmented wave densities as a basis for Hirshfeld atom refinement	0
From capture to catalysis: insights from atomistic simulations into MOF and COF host–guest interactions and guest dynamics	0
Crystallographic and in silico screening for inhibitors of heparanase	0
Structural basis of 3′-end poly(A) RNA recognition by LARP1	0
Investigation of σ-hole based chalcogen and halogen bonding in cocrystals	0
Macromolecular cryo-crystallography on the XtaLAB Synergy-ED	0
Avenues for cocrystallisation of pharmaceuticals using solid-state methods	0
Slice'N'Dice: maximising the value of predicted models for structural biologists	0
Fantastic SSBs and where to find them	0
Structural and functional characterization of Enteroviral 2C protein, an RNA-stimulated ATPase	0
Cateretê: the coherent X-ray scattering beamline at the fourth-generation synchrotron facility SIRIUS	0
Including mosaicity effects in the dynamical refinement against 3D ED data	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
Accelerator based 3D structure determination with MeV electrons	0
Structure of the ectodomains of two atypical E2 glycoprotein pestiviruses	0
Structural basis of biased T cell recognition of immune-dominant epitope of SARS-CoV-2 spike protein	0
Structural studies of SARS-CoV-2 proteins and their complexes	0
In situ study of the activation process of MOF-74 using three-dimensional electron diffraction	0
Mechanical flexibility in molecular crystals with nitrile...nitrile dipolar interactions: computational prediction and experimental validation	0
Diffraction studies of meteorites at the Australian Synchrotron	0
'Spatially resolved crystallography': 3DXRD for discovering ferroic domain structures	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 and pressure-driven phase transitions in hydrated borates	0
High-resolution powder diffraction data collection on beamline ID22 at ESRF	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
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
Uniting aspherical atom models and NoMoRe refinement in AAM_NoMoRe approach: enhanced results and server applications	0