Acta Crystallographica A-Foundation and Advances

Article	Citations
Searching for a hydrogen-ordered counterpart of ice IV through in situ high-pressure powder neutron diffraction experiments	30
The preferential orientation of silicon phases formed during non-hydrostatic compression	20
BioMAX and FragMAX: trends and developments on a fourth-generation macromolecular crystallography beamline	17
High-speed X-ray ptychographic tomography at the Diamond Light Source	14
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	14
High-pressure behavior and metastable phases of Si x Ge1−x alloys	14
Electron diffraction analysis of a 3D covalent organic framework	12
Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study	11
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	11
Crystal structure of a unique activating sulfotransferase SgdX2 involved in the sungeidine biosynthesis	11
Situations where small-molecule raw data should be made available	9
Novel nonlinear optical crystal of L-arginine dichloride	9
A PPR protein-based FRET sensor for RNA	8
Morphological reconstruction from powder diffraction data	8
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	8
Large magnetovolume effect in a cobaltite perovskite	7
Investigation of the milling characteristics of different focused ion beam sources assessed by three-dimensional electron diffraction from crystal lamellae	7
Single-crystal structure analysis of Ni3Se2 and Debye temperatures of Ni chalcogenides	7
Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	7
The XtaLAB Synergy-ED: progress and latest results	6
New drug–drug salt forms of ciprofloxacin with fenamic acids	6
EASY GOV: innovative platform for laboratory management	6
Temperature and pressure stability of Li graphite intercalation compounds	6
Factors governing photoswitchability of selected nickel(II) nitro complexes	6
Delone lattice studies in C 3, the space of three complex variables	6

Synthesis and characterization of the solid-solution series NaYb1−x Lu x S2 in the α-NaFeO2	6
Coherent X-ray diffraction imaging on the D2AM (BM02) beamline	6
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity	6
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
EMBL at PETRA4 – an integrated facility for structural biology and imaging	5
Crystallographic structures of aIF5B from Pyrococcus abyssi in its GDP and GTP-bound forms	5
An interactive tool to explore the two-dimensional Fourier transform	5
Operando X-ray diffraction studies of NASICON-type positive electrodes for Na-ion batteries	5
Evaluating the accuracy of Rietveld analysis for diffraction data from nanocrystalline powders	5
Comparative characterization of two new SiO2–CaO–P2O5 bioactive glasses	5
Cysteine synthase: a key enzyme in the cysteine synthesis pathway and a novel drug target for Chagas disease	4
Enabling high-energy large-unit-cell ultra-high-resolution X-ray crystallography on the P14 at PETRAIII beamline	4
Assessing AlphaFold predictions	4
HLA-B*57-restricted immune response to HIV TW10 epitope drives for selection of specific TCR gene usages regardless of the viral load	4
Biophysical characterization of the Pseudomonas aeruginosa BqsR/BqsS two-component system	4
Convergent beam X-ray diffraction using multilayer Laue lenses – an exploration following in John's footsteps	4
Structural and molecular characterization of the aminoglycoside phosphotransferase APH(3')-IIb from Pseudomonas aeruginosa	4
Increasing STEM persistence through CUREs and community	4
Departures from near inversion symmetry using amino acid hydrogen oxalate quasiracemates	4
Neutron and X-ray scattering to characterize adsorbents and their hosts	3
The ensemble of TELSAM crystallization behaviors	3
Structural studies of the human particulate guanylyl cyclase receptor A (Pgc-A) to support therapeutics for cardiovascular diseases	3
The influence of wavefunction's basis set on the fit of multipole model to wavefunction	3
Remote experiments at SRS beamlines at Advanced Photon Source	3
Infiltration of single-ion magnets into metal–organic frameworks for controlled nanostructuration: translation of density functional theory to the experiment	3
Structural and bioinformatic analysis of an ancient enzyme family	3
Successful sample preparation for serial crystallography at synchrotrons and XFELs	3
A 'disordered' gold in a dicyanoaurate-lanthanide coordination polymer	3
Evidence for pressure-induced unconventional quantum criticality in the coupled spin-ladder antiferromagnet C9H18N2CuBr4	3
Pore architecture of the MIL-53(Al) mechanically controlled to intelligently modulate CO2 adsorption	3
Probing pressure-driven protein phase behavior via in situ high-pressure scattering methods	3
Structural basis for enzymatic terminal C—H bond functionalization of alkanes	2
Half way to hypusine. Molecular basis of deoxyhypusination	2
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	2
High-throughput scattering data processing on field-programmable gate arrays	2
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	2
Where to start: the dynamic adventure of identifying start codons in mRNAs	2
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	2
Finding the Bravais lattice of a '1/N' size supercell from error-containing lattice parameters	2
Structural characterization of spermidine methyltransferase, a novel member of the plant aminopropyltransferase family from Erythroxylum coca	2
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	2
Luminescent Eu-hydroxyapatite for imaging applications	2
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	2
Anticancer activities of acetylacetone coordinated ReI tricarbonyl complexes: a single-crystal investigation, spectroscopic and DFT studies and in silico molecular docking	2
The untold story of the world's most common crystal structure	2
Order from disorder: towards molecular architecture of the muscle Z-disk assembly by integrative structural biology	2
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	2
Understanding preferences for double-stranded RNA cleavage by SARS-Cov-2 enzyme Nsp15	2
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography	2
TLR4 TIR domain higher-order assemblies reveal the structural basis of adaptor recruitment in Toll-like receptor signaling pathways	2

DISCOVER: a total scattering diffractometer for materials discovery at the SNS	2
Insights into the bonding nature of arsenic, phosphorus and sulfur ylides: an answer from quantum crystallography	2
Structure relations of belite and alite polymorphs	2
Sub-millisecond XRD measurement system while changing temperature and pressure using diamond anvil cells on beamline B10XU of SPring-8	2
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	2
Photocrystallography at the Australian Synchrotron	1
Hybrid improper ferroelectricity in columnar (NaY)MnMnTi4O12	1
Topological magnetic structures in MnGe: neutron diffraction and symmetry analysis	1
A toolkit for young crystallographers in need of more learning resources	1
Probing defects and disorders in nanoporous materials by electron crystallography	1
Magnetism of gallium cuboferrites	1
Improving the oxygen tolerance in a highly active [NiFeSe] hydrogenase	1
Theoretical and experimental analysis of the isolobal principle	1
Targeting the sphingolipid biosynthesis pathway of protozoan parasites as drug targets	1
On the effectiveness of first-year-of-university mathematics and somewhat brute force computing when developing new methods in crystallography	1
Education never ends	1
Open the black box with X-Area's intuitive, interactive and colourful data quality assessment graphics	1
Pre-nucleation clusters in liquid benzoic acid	1
Polysaccharide–clay composite beads as sustainable alternative porous adsorbents for purification of bio-oils: adsorption of α-tocopherols	1
Structural and spectroscopic details of 'magnesium hydroxide sulfate hydrate' (MHSH), representing the enigmatic 'low-humidity' kieserite on Mars	1
Dual nature of CdYb quasicrystal: the structure with Bergman or Tsai clusters?	1
Combining mechanochemistry and structural analysis for the design of nanocrystalline reticular materials	1
Implementation of a dose-symmetric tomography scheme in 3D electron diffraction	1
Using crystal structures from the Cambridge Structural Database in schools	1
Developing C-reactive protein modulators as new treatments for inflammation	1
Laser-heated rapid decompression of enstatite (Mg2Si2O6): constraining impact barometry	1
Facile synthesis of conductive metal–organic frameworks applicable for electrocatalysis	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
Decocrystallization as a new route to elusive polymorphs	1
Unattended data collection on the Australian Synchrotron's MX3 beamline	1
Assuring quality in Rietveld refinements	1
Data-driven ptychographic X-ray tomography	1
First implementation of tight-binding methods (xTB) for quantum crystallographic refinement	1
Piezosolvatochromic insights into solvent–solute interactions	1
Crystal structure of 9S-lipoxygenase from Enhygromyxa salina	1
Fluorooxoborates: novel candidates for deep-UV nonlinear optical materials	1
Multiple high-resolution structures providing the insights of glucose tolerance in GH1 family β-glucosidases	1
AI and structural biology: the future of biomolecular structure determination	1
Neutron scattering and neutron spectroscopy for insights into food emulsion interfaces	1
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	1
Pushing technique boundaries to probe conformational polymorphism	1
AlphaFold database and its impact on the crystallographic world	1
Diversity and similarity in isonicotinamide two-component phases with alkyl carboxylic acids: focus on solvates	1
Archaeometrical contribution of synchrotron beamlines	1
Time-resolved crystallographic studies on chlorite dismutase	1
Structural insights into RNA-guided DNA insertion of type V CRISPR-associated transposons	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
Chiral heterometallic Cu/Ln complexes from enantiopure Schiff base ligands	1
XAS database of reagents frequently used in structural biology	1
The crystal isometry principle justifies a new data standard for all periodic crystals	1
Growth forms of grid tilings	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
Sweet protein crystallography in post-AlphaFold era	1
Tailoring halogen-bond donors for crystal engineering	1
Shedding a new light on nitro compounds: NIR-emitting quadrupole-structured dyes	1
Understanding ladderane biosynthesis: towards structural and mechanistic insights from an anammox β-ketoacyl-ACP-synthase II	1
Study of electrical stimulation-responsive hydrogels by rheo-SAXS measurement	1
Superstructure reflections in tilted perovskites	1
Teaching crystallography on real data in life sciences and beyond	1
Nano-crystalline sponge method enabled by 3D-ED using a flexible Bi metal–organic framework	1
Single-crystal XRD: black box versus experienced crystallographer	1
In situ synchrotron X-ray powder diffraction of mechanochemically induced self-sustaining reactions	1
Polar amalgams: structure–property relations in bad metals	1
Structures of honeybee-infecting virus reveal domain functions and capsid assembly with dynamic motions	1
Pierre J. Becker (1942–2024)	1
Investigation of a novel organocobalt complex of B12 model catalyst	1
When is experimental phasing of protein crystals needed for structure solution, post-AlphaFold 2?	1
Charge refinement of metal ion cofactors in protein crystals using microED	1
Disentangling coupled degrees of freedom in quantum materials	1
Photon-counting detectors in the space domain and the time domain	1
Molecular symmetry and art: visualizing the near-symmetry of molecules in Piet Mondrian's De Stijl	1
Orienteering through the crystal engineering landscape	1
MicroED structure of a protoglobin reactive carbene intermediate	0
Biomolecular small-angle scattering: data reproducibility, benchmarking predictive methods and best practice reporting	0
Characterisation by X-ray diffraction of bidentate and tridentate PCP and PCN NHC core pincer-type Mn(I) complexes	0
Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitrophenyl)piperazine	0
Serial crystallography on PETRA III beamline P11	0
Cell-free and in-cell protein crystallization for high-throughput screening of structure determination	0
n→π* charge transfer between an iodide anion and a quinoid ring	0
PyEMAPS: an open source Python package for transmission electron diffraction simulations and crystallographic computing	0

Information-theoretic point-symmetry classifications and quantifications of electron diffraction spot patterns from crystals and quasicrystals	0
Copper–cyano–thiocyanato anionic frameworks	0
Defect characterization of SiC wafers by polarized light microscopy under a condition slightly deviated from crossed Nicols	0
Teaching crystallographic symmetry	0
CheckMyMetal 2.0: a macromolecular metal-binding validation and modeling tool	0
Automation of room-temperature data collection on BIOMAX beamline	0
Three-dimensional ED on oxides – improving the handling of phase mixtures	0
MacCHESS: MX and BioSAXS capabilities	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
SO(3)-equivariant neural networks from cryo-EM particle picking	0
Experimental study of dynamic structural transformations between copper(II) coordination polymers with 5-fluorouracil-1-acetic acid and 4,4-bipyridine	0
'Workbenches': means to prepare the future light source research community?	0
Incommensurate structures in organic–inorganic metal halides	0
Protein crystallization 'de-optimization' for microED	0
Investigation of the molecular architecture of Candida auris ribosome	0
Protein assembly and crystallization with synthetic macrocycles	0
Tangled piecewise-linear embeddings of trivalent graphs	0
Data management and data validation best practices from the perspective of a data repository	0
Room-temperature X-ray/neutron crystallography to uncover SARS-CoV-2 main protease function and design potent inhibitors	0
Monomer and dimer structures of cytochrome bo3 ubiquinol oxidase from Escherichia coli	0
Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness	0
Steps forward beyond the crystal structures: MAXS reveals the potential massive movements during the catalytic action of a kinase	0
Transition metal elements in coloured beryl: application of anomalous X-ray scattering	0
Cryo-EM single-particle reconstruction with a complex-valued particle stack	0
Materials discovery through machine learning: experimental validation and interpretable models	0
Simultaneous DSC and structural studies of liposomes	0
Glycan-mediated activation of B cells in chronic lymphocytic leukaemia subsets	0
Novel nickel(II) complex with a thiosemicarbazide: synthesis, structure and noncovalent interactions	0
Comparing ATAD2/B bromodomain structure–function differences in the dynamic epigenetic landscape	0
High-throughput and high-resolution powder diffraction measurement system for accelerating green materials science and engineering	0
Code crack of colour diversity	0
Mind the miscibility gap: cationic disorder drives non-equilibrium phase transformations during electrochemical cycling of LiNi0.5Mn1.5O4	0
Micro-focus Raman studies on elastically flexible small peptide crystals	0
Thermal motion and position of hydrogen bonded to transition metals in coordination complexes studied with HAR combined with SHADE3 or NoMoRe	0
Loose polymorphs of DL-menthol and their compression	0
NucleoFind: a deep-learning network for interpreting nucleic acid electron density	0
Dual-axis aligned artificial water channels formed via water-induced self-assembly	0
Advances using machine learning and computational tools for crystal growth and detection	0
Defective CuI/InIII corners trapped in an ordered lattice of barium copper indium selenide	0
Development of giant crystalline molecular rotor mediated by bulky N-heterocyclic carbene gold(I) complex	0
Cryo-EM structures reveal dramatic remodeling of the p97 hexamer by the multi-domain adapter UBXD1	0
New capabilities of the Structural Science Group beamlines before and after the APS upgrade	0
Discovery and structural characterization of novel nanobodies targeting the Cavin1 complex essential for forming caveola membrane vesicles	0
Structure-directing Ag...π interactions in coordination complexes	0
Deep learning for improving grain mapping from near-field high-energy diffraction microscopy	0
In situ 3D-ED in liquid to study the structural transformation of functional materials during electrochemical reactions: challenges and progress	0
FemtoMAX – a beamline for ultrafast pump/X-ray probe experiments	0
Ternary halogen-bonded cocrystal design using NiII complex containing isothiocyanate ligands as halogen bond acceptor species	0
CNCC – Concurso Nacional de Crecimiento de Cristales de Uruguay: 10 years of a successful crystal growing competition for schoolchildren and more	0
Application of quantum chemistry methods to analyse supramolecular architecture of halogen substituted anilines	0
Uwe Grimm (1963–2021)	0
Pseudo-centrosymmetry can confuse automatic space group determination	0
Chaotic advection mixer for capturing transient states of diverse biological macromolecular systems with time-resolved small-angle X-ray scattering	0
Validation and archival of MicroED data	0
Structural studies of a mitochondrial RNA importer	0
An automated approach to MicroED enables structure determination of complex samples	0
The structural revelation of the smallest functional pyruvate kinase from Entamoeba histolytica	0
Determination of chemical composition and thickness of the very thin film in a heteroepitaxial multilayer by a combination of X-ray measurements	0
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry	0
Structural studies of domain IV RNA from type I picornaviral internal ribosome entry sites	0
Hierarchical structures of polysaccharides	0
The transmembrane protease TMPRSS2 as a potential target for treatment of virus infection	0
Solid solutions as a means to investigate and exploit the structure–property relationships in molecular crystals	0
Outstanding challenges for conformational heterogeneity analysis in single-particle cryo-EM	0
Structural insights into cell septation in Mycobacterium tuberculosis	0
Observation of slight twisting in dislocation-free protein crystals	0
Routine room-temperature structure determination from protein crystals in situ on Diamond beamline VMXi using the Crystallisation Facility at Harwell	0
Structural and physical properties of R-BTBT-CONHC14H29 (R = H, C8H17)	0
Portable energy-dispersive X-ray diffraction analyser for lunar applications	0
RNA X-ray structures at atomic resolution that contain an essential constituent of the mRNA vaccines: N1-methylpseudouridine	0
Ultrafast optical spectroscopy of molecules using quantum light	0
Laboratory RheoSAXS studies of non-ionic surfactants	0
Disulfide bond formation between T-cell receptor and peptide epitope lowers the threshold of activation	0
Conceptual design of a beamline for classical XAFS spectroscopy at the future ultra low emittance storage ring PETRA IV	0
Biocrystallography as a means of communication with the general public on the coronavirus and the RNA world	0
Online and 3D-printed resources for introducing crystallographic concepts	0
Cellular activation pathway of bemnifosbuvir (AT-527), a drug candidate against SARS-CoV-2 infections	0
Capillary crystallization: a versatile tool for chemical crystallography and absolute configuration determination	0
Can you SQUEEZE an ion? And if not, why not?	0
Understanding substrate binding and delivery through the bi-chaperone Hsp104–Hsp70 supercomplex	0
Time-resolved binding of initiation factor 1 to the ribosomal decoding center	0
Structural determination of a photoemissive chiral 3D silver(I)-benzenedithiolate coordination polymer	0
Structure-based drug design for new therapies for leishmaniasis and Chagas disease	0
Supramolecular isomerism in coordination polymers of CdII with an imidazole-based dipodal ligand	0
Crystal structures at the nanoscale with scanning electron diffraction tomography	0
New hydrated salts of sparfloxacin: a supramolecular synthon analysis	0
Deep learning applications in protein crystallography	0
The prediction, observation and analysis of a new form of cannabidiol	0
New opportunities for structural biology research at LCLS and SSRL	0
Structural investigations of arginyltransferases	0
Mechanistic investigations of solid-state desolvation processes	0
Enhancing structure determination from powder X-ray diffraction data through multi-technique synergy	0
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	0
Combined structural, spectroscopic, electrochemical and magnetic study of nickel(II) pyrazolates: dinuclear [Ni2], linear [Ni3] and triangular [Ni3] incorporating five	0
Improvements to the XIPHOS I ultra-low-temperature diffraction facility	0