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	31
The preferential orientation of silicon phases formed during non-hydrostatic compression	21
BioMAX and FragMAX: trends and developments on a fourth-generation macromolecular crystallography beamline	20
Electron diffraction analysis of a 3D covalent organic framework	14
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
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	12
Crystal structure of a unique activating sulfotransferase SgdX2 involved in the sungeidine biosynthesis	12
Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study	11
Novel nonlinear optical crystal of L-arginine dichloride	11
A PPR protein-based FRET sensor for RNA	10
Situations where small-molecule raw data should be made available	10
Morphological reconstruction from powder diffraction data	9
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	9
Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	9
Investigation of the milling characteristics of different focused ion beam sources assessed by three-dimensional electron diffraction from crystal lamellae	8
Single-crystal structure analysis of Ni3Se2 and Debye temperatures of Ni chalcogenides	8
Large magnetovolume effect in a cobaltite perovskite	8
EASY GOV: innovative platform for laboratory management	7
Delone lattice studies in C 3, the space of three complex variables	7
Coherent X-ray diffraction imaging on the D2AM (BM02) beamline	7
Synthesis and characterization of the solid-solution series NaYb1−x Lu x S2 in the α-NaFeO2	6
Factors governing photoswitchability of selected nickel(II) nitro complexes	6
Evaluating the accuracy of Rietveld analysis for diffraction data from nanocrystalline powders	6

The XtaLAB Synergy-ED: progress and latest results	6
Temperature and pressure stability of Li graphite intercalation compounds	6
EMBL at PETRA4 – an integrated facility for structural biology and imaging	6
An interactive tool to explore the two-dimensional Fourier transform	6
New drug–drug salt forms of ciprofloxacin with fenamic acids	6
Comparative characterization of two new SiO2–CaO–P2O5 bioactive glasses	6
Operando X-ray diffraction studies of NASICON-type positive electrodes for Na-ion batteries	6
HLA-B*57-restricted immune response to HIV TW10 epitope drives for selection of specific TCR gene usages regardless of the viral load	5
Structural and molecular characterization of the aminoglycoside phosphotransferase APH(3')-IIb from Pseudomonas aeruginosa	5
In situ XRD and PDF investigation of battery fluoride materials MF3·3H2O (M = Fe, Cr) in controlled atmosphere: accessing new phases with controlled chemistr	5
Cysteine synthase: a key enzyme in the cysteine synthesis pathway and a novel drug target for Chagas disease	5
Crystallographic structures of aIF5B from Pyrococcus abyssi in its GDP and GTP-bound forms	5
Biophysical characterization of the Pseudomonas aeruginosa BqsR/BqsS two-component system	5
Convergent beam X-ray diffraction using multilayer Laue lenses – an exploration following in John's footsteps	4
A 'disordered' gold in a dicyanoaurate-lanthanide coordination polymer	4
Remote experiments at SRS beamlines at Advanced Photon Source	4
Pore architecture of the MIL-53(Al) mechanically controlled to intelligently modulate CO2 adsorption	4
Evidence for pressure-induced unconventional quantum criticality in the coupled spin-ladder antiferromagnet C9H18N2CuBr4	4
Neutron and X-ray scattering to characterize adsorbents and their hosts	4
Increasing STEM persistence through CUREs and community	4
Infiltration of single-ion magnets into metal–organic frameworks for controlled nanostructuration: translation of density functional theory to the experiment	4
Structural and bioinformatic analysis of an ancient enzyme family	4
Structural studies of the human particulate guanylyl cyclase receptor A (Pgc-A) to support therapeutics for cardiovascular diseases	4
Enabling high-energy large-unit-cell ultra-high-resolution X-ray crystallography on the P14 at PETRAIII beamline	4
Assessing AlphaFold predictions	4
Departures from near inversion symmetry using amino acid hydrogen oxalate quasiracemates	4
The ensemble of TELSAM crystallization behaviors	4
Successful sample preparation for serial crystallography at synchrotrons and XFELs	4
The influence of wavefunction's basis set on the fit of multipole model to wavefunction	3
The untold story of the world's most common crystal structure	3
Using crystal structures from the Cambridge Structural Database in schools	3
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	3
Insights into the bonding nature of arsenic, phosphorus and sulfur ylides: an answer from quantum crystallography	3
Finding the Bravais lattice of a '1/N' size supercell from error-containing lattice parameters	3
Where to start: the dynamic adventure of identifying start codons in mRNAs	3
Anticancer activities of acetylacetone coordinated ReI tricarbonyl complexes: a single-crystal investigation, spectroscopic and DFT studies and in silico molecular docking	3
High-throughput scattering data processing on field-programmable gate arrays	3
Probing pressure-driven protein phase behavior via in situ high-pressure scattering methods	3
Structure relations of belite and alite polymorphs	3
DISCOVER: a total scattering diffractometer for materials discovery at the SNS	3
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	3
Order from disorder: towards molecular architecture of the muscle Z-disk assembly by integrative structural biology	3
Pushing technique boundaries to probe conformational polymorphism	2
Shedding a new light on nitro compounds: NIR-emitting quadrupole-structured dyes	2
Structural and spectroscopic details of 'magnesium hydroxide sulfate hydrate' (MHSH), representing the enigmatic 'low-humidity' kieserite on Mars	2
Structural characterization of spermidine methyltransferase, a novel member of the plant aminopropyltransferase family from Erythroxylum coca	2
Superstructure reflections in tilted perovskites	2
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	2
Open the black box with X-Area's intuitive, interactive and colourful data quality assessment graphics	2
TLR4 TIR domain higher-order assemblies reveal the structural basis of adaptor recruitment in Toll-like receptor signaling pathways	2

On the effectiveness of first-year-of-university mathematics and somewhat brute force computing when developing new methods in crystallography	2
Decocrystallization as a new route to elusive polymorphs	2
Sub-millisecond XRD measurement system while changing temperature and pressure using diamond anvil cells on beamline B10XU of SPring-8	2
Hybrid improper ferroelectricity in columnar (NaY)MnMnTi4O12	2
Magnetism of gallium cuboferrites	2
Targeting the sphingolipid biosynthesis pathway of protozoan parasites as drug targets	2
Assuring quality in Rietveld refinements	2
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity	2
Understanding preferences for double-stranded RNA cleavage by SARS-Cov-2 enzyme Nsp15	2
Growth forms of grid tilings	2
Half way to hypusine. Molecular basis of deoxyhypusination	2
Single-crystal XRD: black box versus experienced crystallographer	2
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	2
Teaching crystallography on real data in life sciences and beyond	2
Piezosolvatochromic insights into solvent–solute interactions	2
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	2
Structural basis for enzymatic terminal C—H bond functionalization of alkanes	2
Polar amalgams: structure–property relations in bad metals	2
Sweet protein crystallography in post-AlphaFold era	2
Pierre J. Becker (1942–2024)	2
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	2
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography	2
Luminescent Eu-hydroxyapatite for imaging applications	2
AI and structural biology: the future of biomolecular structure determination	2
Multiple high-resolution structures providing the insights of glucose tolerance in GH1 family β-glucosidases	2
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	2
Theoretical and experimental analysis of the isolobal principle	1
Detailed mechanism of catalysis by tetrameric L-glutaminase-asparaginase from Pseudomonas 7A (PGA)	1
In situ synchrotron X-ray powder diffraction of mechanochemically induced self-sustaining reactions	1
Study of electrical stimulation-responsive hydrogels by rheo-SAXS measurement	1
RELION 4 and beyond – structural heterogeneity and algorithmic robustness	1
Pre-nucleation clusters in liquid benzoic acid	1
Parallelohedra, old and new	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
XAS database of reagents frequently used in structural biology	1
Structural parasitology of malaria parasites	1
Combining mechanochemistry and structural analysis for the design of nanocrystalline reticular materials	1
LaueNN: neural network based hkl recognition of Laue spots and its application to polycrystalline materials	1
Molecular symmetry and art: visualizing the near-symmetry of molecules in Piet Mondrian's De Stijl	1
Time-resolved crystallographic studies on chlorite dismutase	1
Structures of honeybee-infecting virus reveal domain functions and capsid assembly with dynamic motions	1
Epitaxial intergrowths and local oxide displacements in natural bixbyite	1
Crystal structure of 9S-lipoxygenase from Enhygromyxa salina	1
Tailoring halogen-bond donors for crystal engineering	1
Data-driven ptychographic X-ray tomography	1
Implementation of a dose-symmetric tomography scheme in 3D electron diffraction	1
Structure based modification of omega transaminases from Pseudomonas putida KT2440 for industrial use	1
Unattended data collection on the Australian Synchrotron's MX3 beamline	1
Impact on validation and quality of structures deposited to PDB	1
Synthesis of spin crossover (SCO) complexes through accelerated aging contact reactions	1
Photocrystallography at the Australian Synchrotron	1
High-energy X-ray diffraction for physics and chemistry on beamlines P07 and P21.1 at PETRA III, DESY	1
The crystal isometry principle justifies a new data standard for all periodic crystals	1
Understanding the high-voltage crystallographic and electronic structure evolution in Li-ion battery cathodes through X-ray diffraction, scattering and spectroscopy	1
Structural insights into RNA-guided DNA insertion of type V CRISPR-associated transposons	1
Communication skills learned from my first crystal structures	1
Topological magnetic structures in MnGe: neutron diffraction and symmetry analysis	1
Semi- and self-supervised approaches to space group and Bravais lattice determination	1
Archaeometrical contribution of synchrotron beamlines	1
Evaluating the quality of microED structures	1
Preferred orientation of freshwater shells of the species Sinanodonta woodiana and Anodonta anatina studied by neutron and X-ray diffraction	1
First implementation of tight-binding methods (xTB) for quantum crystallographic refinement	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
Structural complexity in the RP phase La2CoO4+δ explored by synchrotron X-ray single-crystal diffraction and neutron powder diffraction	1
Fluorooxoborates: novel candidates for deep-UV nonlinear optical materials	1
Investigation of a novel organocobalt complex of B12 model catalyst	1
Dual nature of CdYb quasicrystal: the structure with Bergman or Tsai clusters?	1
Nano-crystalline sponge method enabled by 3D-ED using a flexible Bi metal–organic framework	1
Disentangling coupled degrees of freedom in quantum materials	1
Polysaccharide–clay composite beads as sustainable alternative porous adsorbents for purification of bio-oils: adsorption of α-tocopherols	1
Developing C-reactive protein modulators as new treatments for inflammation	1
Mammalian rhodopsin dynamics using an X-ray free-electron laser	1
Probing defects and disorders in nanoporous materials by electron crystallography	1
Structural studies of GPCRs with MicroED	1
Structural and functional studies of TBEV non-structural protein 5	1
Facile synthesis of conductive metal–organic frameworks applicable for electrocatalysis	1
Solid solutions of mono- and dihalogen alkyl phosphonium salt derivatives and their photoluminescence properties	1
Neutron scattering and neutron spectroscopy for insights into food emulsion interfaces	1
Operation of a versatile compound refractive lens (CRL) transfocator	1

Understanding ladderane biosynthesis: towards structural and mechanistic insights from an anammox β-ketoacyl-ACP-synthase II	1
Using AlphaFold2 to model TA system protein–protein interactions: a case study with ParDE complexes	1
AlphaFold database and its impact on the crystallographic world	1
High throughput for high-resolution cryo-electron tomography	1
Mg-rich nanoparticles within Mg-poor calcite matrices: from coralline red algae to a widespread phenomenon in biomineralization	1
Laser-heated rapid decompression of enstatite (Mg2Si2O6): constraining impact barometry	1
Photon-counting detectors in the space domain and the time domain	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
A toolkit for young crystallographers in need of more learning resources	1
Magnesioreduction synthesis of silicides: the structure–properties relationship	1
Improving the oxygen tolerance in a highly active [NiFeSe] hydrogenase	1
Diversity and similarity in isonicotinamide two-component phases with alkyl carboxylic acids: focus on solvates	1
Obligate respiratory chain complex III2IV2 supercomplexes of Actinobacteria	1
Education never ends	1
Orienteering through the crystal engineering landscape	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
Deep learning based hallucination of de novo protein assemblies accross the nanoscale	1
Exploring generality of experimental conformational changes with AlphaFold predictions	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
Call for nominations for the Ewald Prize	1
Diffuse scattering from crystals – quantifying the contribution of lattice dynamics and disorder	1
The prediction, observation and analysis of a new form of cannabidiol	0
Data management and data validation best practices from the perspective of a data repository	0
Mechanistic investigations of solid-state desolvation processes	0
What have we learned from the 7th Blind Test of Crystal Structure Prediction? Triumphs, challenges and insights	0
Novel nickel(II) complex with a thiosemicarbazide: synthesis, structure and noncovalent interactions	0
CNCC – Concurso Nacional de Crecimiento de Cristales de Uruguay: 10 years of a successful crystal growing competition for schoolchildren and more	0
Micro-focus Raman studies on elastically flexible small peptide crystals	0
Dual-axis aligned artificial water channels formed via water-induced self-assembly	0
Online and 3D-printed resources for introducing crystallographic concepts	0
Development of giant crystalline molecular rotor mediated by bulky N-heterocyclic carbene gold(I) complex	0
CheckMyMetal 2.0: a macromolecular metal-binding validation and modeling tool	0
SO(3)-equivariant neural networks from cryo-EM particle picking	0
Room-temperature X-ray/neutron crystallography to uncover SARS-CoV-2 main protease function and design potent inhibitors	0
Deep learning for improving grain mapping from near-field high-energy diffraction microscopy	0
Biocrystallography as a means of communication with the general public on the coronavirus and the RNA world	0
New opportunities for structural biology research at LCLS and SSRL	0
n→π* charge transfer between an iodide anion and a quinoid ring	0
Can you still get 'Marshed'? Experience versus algorithms	0
'Workbenches': means to prepare the future light source research community?	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
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
Investigation of the molecular architecture of Candida auris ribosome	0
Pseudo-centrosymmetry can confuse automatic space group determination	0
Monomer and dimer structures of cytochrome bo3 ubiquinol oxidase from Escherichia coli	0
Validation and archival of MicroED data	0
Cryo-EM single-particle reconstruction with a complex-valued particle stack	0
FemtoMAX – a beamline for ultrafast pump/X-ray probe experiments	0
New capabilities of the Structural Science Group beamlines before and after the APS upgrade	0
Disulfide bond formation between T-cell receptor and peptide epitope lowers the threshold of activation	0
Improvements to the XIPHOS I ultra-low-temperature diffraction facility	0
Laboratory RheoSAXS studies of non-ionic surfactants	0
Cryo-EM structures reveal dramatic remodeling of the p97 hexamer by the multi-domain adapter UBXD1	0
Three-dimensional ED on oxides – improving the handling of phase mixtures	0
Advances using machine learning and computational tools for crystal growth and detection	0
Cellular activation pathway of bemnifosbuvir (AT-527), a drug candidate against SARS-CoV-2 infections	0
Structural studies of a mitochondrial RNA importer	0
Structural investigations of arginyltransferases	0
Combined structural, spectroscopic, electrochemical and magnetic study of nickel(II) pyrazolates: dinuclear [Ni2], linear [Ni3] and triangular [Ni3] incorporating five	0
Understanding substrate binding and delivery through the bi-chaperone Hsp104–Hsp70 supercomplex	0
Thermal motion and position of hydrogen bonded to transition metals in coordination complexes studied with HAR combined with SHADE3 or NoMoRe	0
Fe-based skutterudite-like compounds	0
Structural determination of a photoemissive chiral 3D silver(I)-benzenedithiolate coordination polymer	0
Routine room-temperature structure determination from protein crystals in situ on Diamond beamline VMXi using the Crystallisation Facility at Harwell	0
Crystallization of molecular glass: from amorphous state to new polymorphic forms in the API sodium naproxen	0
Supramolecular isomerism in coordination polymers of CdII with an imidazole-based dipodal ligand	0
Glycan-mediated activation of B cells in chronic lymphocytic leukaemia subsets	0
Uwe Grimm (1963–2021)	0
New hydrated salts of sparfloxacin: a supramolecular synthon analysis	0
An automated approach to MicroED enables structure determination of complex samples	0
Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness	0
Structural studies of domain IV RNA from type I picornaviral internal ribosome entry sites	0
Experimental study of dynamic structural transformations between copper(II) coordination polymers with 5-fluorouracil-1-acetic acid and 4,4-bipyridine	0
Ternary halogen-bonded cocrystal design using NiII complex containing isothiocyanate ligands as halogen bond acceptor species	0
Copper–cyano–thiocyanato anionic frameworks	0
Information-theoretic point-symmetry classifications and quantifications of electron diffraction spot patterns from crystals and quasicrystals	0
Teaching crystallographic symmetry	0
MacCHESS: MX and BioSAXS capabilities	0
Discovery and structural characterization of novel nanobodies targeting the Cavin1 complex essential for forming caveola membrane vesicles	0
Can you SQUEEZE an ion? And if not, why not?	0
The structural revelation of the smallest functional pyruvate kinase from Entamoeba histolytica	0
Transition metal elements in coloured beryl: application of anomalous X-ray scattering	0
Chaotic advection mixer for capturing transient states of diverse biological macromolecular systems with time-resolved small-angle X-ray scattering	0
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry	0
Structural dynamics of a B12-dependent photoreceptor	0
Structure-directing Ag...π interactions in coordination complexes	0
Code crack of colour diversity	0
Grace titanium silicate-1 for treatment of crystal violet and methylene blue by wastewater	0
Protein crystallization 'de-optimization' for microED	0
Solid solutions as a means to investigate and exploit the structure–property relationships in molecular crystals	0
Structure-based drug design for new therapies for leishmaniasis and Chagas disease	0
Protein assembly and crystallization with synthetic macrocycles	0