Acta Crystallographica A-Foundation and Advances

Article	Citations
Superstructure reflections in tilted perovskites	26
Delone lattice studies in C 3, the space of three complex variables	21
Biophysical characterization of the Pseudomonas aeruginosa BqsR/BqsS two-component system	14
Increasing STEM persistence through CUREs and community	13
Importance of polymorphism in improving the potency of bioactive molecules	12
Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data	12
Structure of sustainable lead-free low-melting vanadate glass	12
Synthesis and topotactic manipulation of layered oxysulfide CaSrMnO2Cu4−δS3	12
Nitroxide with diphenylphosphino moiety: synthesis, supramolecular structure, biology and catalysis	11
Revisiting the crystal structure and magneto-elastic coupling in MnZnSb	10
Transient domain structure of coalescence-induced self-organization in droplet phase separation	10
Low-power photo-carving of dye-volatile co-crystals: the sublime cutting edge of light-responsive materials	9
Magnetic pair distribution function analysis of antiferromagnetic semiconductor MnTe	8
X-TechLab training sessions in Benin: towards borderless science education	8
Coupled ptychography and tomography reconstruction of experimental data	8
Reciprocal-space refinement and map calculation for cryo-EM single-particle structures	8
Prediction of the atomic structure of two-dimensional materials on substrates	7
Quantum crystallography and spintronic materials	7
Assessing AlphaFold predictions	6
Infiltration of single-ion magnets into metal–organic frameworks for controlled nanostructuration: translation of density functional theory to the experiment	6
Convergent beam X-ray diffraction using multilayer Laue lenses – an exploration following in John's footsteps	6
A 'disordered' gold in a dicyanoaurate-lanthanide coordination polymer	6
Evidence for pressure-induced unconventional quantum criticality in the coupled spin-ladder antiferromagnet C9H18N2CuBr4	6
Enabling high-energy large-unit-cell ultra-high-resolution X-ray crystallography on the P14 at PETRAIII beamline	6
Departures from near inversion symmetry using amino acid hydrogen oxalate quasiracemates	6

Neutron and X-ray scattering to characterize adsorbents and their hosts	6
Remote experiments at SRS beamlines at Advanced Photon Source	5
Pore architecture of the MIL-53(Al) mechanically controlled to intelligently modulate CO2 adsorption	5
Probing pressure-driven protein phase behavior via in situ high-pressure scattering methods	5
Coherent X-ray diffraction imaging on the D2AM (BM02) beamline	5
Structural and bioinformatic analysis of an ancient enzyme family	5
Structural studies of the human particulate guanylyl cyclase receptor A (Pgc-A) to support therapeutics for cardiovascular diseases	5
Approximate rotational symmetries in electron nanodiffraction from amorphous materials	5
The ensemble of TELSAM crystallization behaviors	5
Successful sample preparation for serial crystallography at synchrotrons and XFELs	5
EASY GOV: innovative platform for laboratory management	5
Operando X-ray diffraction studies of NASICON-type positive electrodes for Na-ion batteries	4
Synthesis and characterization of the solid-solution series NaYb1−x Lu x S2 in the α-NaFeO2	4
Factors governing photoswitchability of selected nickel(II) nitro complexes	4
Evaluating the accuracy of Rietveld analysis for diffraction data from nanocrystalline powders	4
The XtaLAB Synergy-ED: progress and latest results	4
Temperature and pressure stability of Li graphite intercalation compounds	4
EMBL at PETRA4 – an integrated facility for structural biology and imaging	4
An interactive tool to explore the two-dimensional Fourier transform	4
New drug–drug salt forms of ciprofloxacin with fenamic acids	4
Comparative characterization of two new SiO2–CaO–P2O5 bioactive glasses	4
In situ XRD and PDF investigation of battery fluoride materials MF3·3H2O (M = Fe, Cr) in controlled atmosphere: accessing new phases with controlled chemistr	3
Structural and molecular characterization of the aminoglycoside phosphotransferase APH(3')-IIb from Pseudomonas aeruginosa	3
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	3
Electron diffraction analysis of a 3D covalent organic framework	3
BioMAX and FragMAX: trends and developments on a fourth-generation macromolecular crystallography beamline	3
Crystallographic structures of aIF5B from Pyrococcus abyssi in its GDP and GTP-bound forms	3
Cysteine synthase: a key enzyme in the cysteine synthesis pathway and a novel drug target for Chagas disease	3
High-speed X-ray ptychographic tomography at the Diamond Light Source	3
Crystal structure of a unique activating sulfotransferase SgdX2 involved in the sungeidine biosynthesis	3
Searching for a hydrogen-ordered counterpart of ice IV through in situ high-pressure powder neutron diffraction experiments	3
HLA-B*57-restricted immune response to HIV TW10 epitope drives for selection of specific TCR gene usages regardless of the viral load	3
The preferential orientation of silicon phases formed during non-hydrostatic compression	3
High-pressure behavior and metastable phases of Si x Ge1−x alloys	3
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	3
Shedding a new light on nitro compounds: NIR-emitting quadrupole-structured dyes	2
Teaching crystallography on real data in life sciences and beyond	2
Targeting the sphingolipid biosynthesis pathway of protozoan parasites as drug targets	2
Magnetism of gallium cuboferrites	2
AI and structural biology: the future of biomolecular structure determination	2
Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	2
A PPR protein-based FRET sensor for RNA	2
Open the black box with X-Area's intuitive, interactive and colourful data quality assessment graphics	2
Large magnetovolume effect in a cobaltite perovskite	2
Probing structural attributes for Li-argyrodite as a fast ion conductor using neutron powder diffraction	2
Multiple high-resolution structures providing the insights of glucose tolerance in GH1 family β-glucosidases	2
Hybrid improper ferroelectricity in columnar (NaY)MnMnTi4O12	2
Pushing technique boundaries to probe conformational polymorphism	2
Investigation of the milling characteristics of different focused ion beam sources assessed by three-dimensional electron diffraction from crystal lamellae	2
Situations where small-molecule raw data should be made available	2

Novel nonlinear optical crystal of L-arginine dichloride	2
Morphological reconstruction from powder diffraction data	2
Using crystal structures from the Cambridge Structural Database in schools	2
On the effectiveness of first-year-of-university mathematics and somewhat brute force computing when developing new methods in crystallography	2
MqsA antitoxin degradation is regulated by zinc occupancy and oxidation	2
Piezosolvatochromic insights into solvent–solute interactions	2
Single-crystal XRD: black box versus experienced crystallographer	2
Single-crystal structure analysis of Ni3Se2 and Debye temperatures of Ni chalcogenides	2
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	2
Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study	2
Decocrystallization as a new route to elusive polymorphs	2
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity	1
Scipion for tomography: an expansion of the Scipion software framework towards integration, reproducibility and validation in cryo-electron tomography	1
Structural insights into RNA-guided DNA insertion of type V CRISPR-associated transposons	1
Polar amalgams: structure–property relations in bad metals	1
The magnetic–structural relationships of [CuX 6]4− (X = Cl− or Br−) perovskites containing n-carboxyalkylammonium cat	1
Engineering SilkCatcher/Tag pairs for production of native-sized spider silk proteins	1
The structural panorama of L-asparaginases includes an alien from nitrogen-fixing bacteria	1
Serial diffractive imaging to visualize ultrafast dynamics in nanoscale systems	1
Controlling nanoparticle synthesis derived from bimetallic metal–organic frameworks	1
Determining suitable periodic DFT methods for modelling Titan-relevant molecular minerals	1
Photo-induced electron transfer in pyrene-(CH2)2-N,N′-dimethylaniline: time-resolved pink Laue X-ray diffraction studies on crystalline polymorphs	1
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	1
Crystal and magnetic structures and dielectric phase transition of the novel organic–inorganic hybrid halometallate compound (quinuclidine)[FeCl4]	1
AlphaFold database and its impact on the crystallographic world	1
Insights into the bonding nature of arsenic, phosphorus and sulfur ylides: an answer from quantum crystallography	1
Magnetic behavior of Cu-intercalated MnPSe3	1
On the quality of three-dimensional electron diffraction data for direct location of guest molecules in open-framework materials	1
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	1
Introduction to 'What can and can't we see?'	1
High-throughput scattering data processing on field-programmable gate arrays	1
Half way to hypusine. Molecular basis of deoxyhypusination	1
Magnetic properties in new half-Heusler-type compound	1
Tailoring halogen-bond donors for crystal engineering	1
Sweet protein crystallography in post-AlphaFold era	1
The influence of wavefunction's basis set on the fit of multipole model to wavefunction	1
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	1
Understanding preferences for double-stranded RNA cleavage by SARS-Cov-2 enzyme Nsp15	1
The untold story of the world's most common crystal structure	1
Growth and spectroscopic studies of Na2W2O7 crystals doped with Ce+4 and Cr+3 ions, promising scintillation detectors of elementary particles	1
Pre-nucleation clusters in liquid benzoic acid	1
Order from disorder: towards molecular architecture of the muscle Z-disk assembly by integrative structural biology	1
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	1
Laser-heated rapid decompression of enstatite (Mg2Si2O6): constraining impact barometry	1
Lattice disorder and oxygen migration pathways in pyrochlore and defect-fluorite oxides	1
A new NMR crystallographic protocol based on quadrupolar nuclei	1
Operando oxidation and reduction neutron scattering studies on pristine and Pt-coated ceria nanorods	1
Disentangling coupled degrees of freedom in quantum materials	1
Molecular symmetry and art: visualizing the near-symmetry of molecules in Piet Mondrian's De Stijl	1
Result of using atoms and centrosymmetric cubic space groups	1
Structural basis of an anti-cancer biological warhead bound to its target CDCP1 for the diagnosis and treatment of epithelial cancers	1
Investigating the crystallization behaviour of Ge-rich GST PCMs with in situ synchrotron XRD	1
Challenge for fabrication of silk-based sustainable products based on microscopic biomimetics of hierarchical structure in native silks	1
Quantitative analysis of diffuse electron scattering in the lithium ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2	1
Bent-crystal Laue analyser combined with polarization-dependent total reflection fluorescence X-ray absorption fine structure (BCLA-TRFXAFS) and its application to electrode surface	1
Imidazole-based ambiphilic ligands for anion sensing, metallation and photophysical properties	1
In situ liquid-phase 3D-ED/microED for studying polymorphism	1
Combining RMC and PDF methods to characterize amorphous drugs	1
Outcomes from EMDataResource model challenges	1
A toolkit for young crystallographers in need of more learning resources	1
Chiral heterometallic Cu/Ln complexes from enantiopure Schiff base ligands	1
Using the ALEX nylon mesh holder for time-resolved serial crystallography: successes and drawbacks	1
Total scattering at grazing incidence to study real thin-film systems at variable temperature	1
TLR4 TIR domain higher-order assemblies reveal the structural basis of adaptor recruitment in Toll-like receptor signaling pathways	1
Structural science awakens – with a splash of water to the (inter)face	1
Combining mechanochemistry and structural analysis for the design of nanocrystalline reticular materials	1
Assuring quality in Rietveld refinements	1
Structures of honeybee-infecting virus reveal domain functions and capsid assembly with dynamic motions	1
Anticancer activities of acetylacetone coordinated ReI tricarbonyl complexes: a single-crystal investigation, spectroscopic and DFT studies and in silico molecular docking	1
Understanding ladderane biosynthesis: towards structural and mechanistic insights from an anammox β-ketoacyl-ACP-synthase II	1
Structural characterization of spermidine methyltransferase, a novel member of the plant aminopropyltransferase family from Erythroxylum coca	1
Finding the Bravais lattice of a '1/N' size supercell from error-containing lattice parameters	1
DISCOVER: a total scattering diffractometer for materials discovery at the SNS	1
Structural basis for enzymatic terminal C—H bond functionalization of alkanes	1
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	1
Short-range charge-density wave order in La1.88Sr0.12CuO4 under uniaxial pressure	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
Growth forms of grid tilings	1
How to discover new solids containing alkali metals: predictive screening, facile synthesis and in situ studies	1
When is experimental phasing of protein crystals needed for structure solution, post-AlphaFold 2?	1

Structural and spectroscopic details of 'magnesium hydroxide sulfate hydrate' (MHSH), representing the enigmatic 'low-humidity' kieserite on Mars	1
Structural characterization of the homeodomain transcription factor Gsx2 bound to DNA	1
Diversity and similarity in isonicotinamide two-component phases with alkyl carboxylic acids: focus on solvates	1
Novel targets in old rogues: integrative structural biology approach for discovery of natural product inhibitors	1
Structural complexity in amorphous calcium carbonate	1
Hydrogen-bond architecture in a series of allylamine and normal alcohols (C1–C10) cocrystals	1
Combined X-ray studies on metalloenzymes at room temperature	1
Ultrafast dynamic diffraction wavefronts in strained Si imagined with tele-ptychography	1
Structural and functional characterisation of plant TIR domains and their role in plant innate immunity	1
Using the Gold Standard for data archival at kilohertz speeds	1
Investigation of a novel organocobalt complex of B12 model catalyst	1
Refinement on electron diffraction data in MoPro: a quest for improved structure model	1
Studies of LysSi3, a Gram-negative targeting endolysin with broad bactericidal activity	1
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	1
Exploring polysaccharide lyases of PL-5 family through the lens of structure, function and dynamics	1
Core Facility for Crystallographic and Biophysical Research to support the development of medicinal products	1
Luminescent Eu-hydroxyapatite for imaging applications	1
Bicontinuous microemulsion (BμE) as a membrane-mimic to stabilize and enable structural studies of membrane proteins	1
Sub-millisecond XRD measurement system while changing temperature and pressure using diamond anvil cells on beamline B10XU of SPring-8	1
Scipion-ed: a workflow-based and self-documenting program for 3D-ED data processing	1
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	1
Temperature and composition evolution of lattice, charge-density wave and superconducting orders in Ta-based dichalcogenides by total X-ray scattering	1
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography	1
Structure relations of belite and alite polymorphs	1
Controlling crystallization pathways and kinetics in multiferroic Bi2Fe4O9	1
First implementation of tight-binding methods (xTB) for quantum crystallographic refinement	1
Development of reference standard for small-angle scattering measurement q calibration	1
Where to start: the dynamic adventure of identifying start codons in mRNAs	1
eSPC, an online data analysis platform for molecular biophysics	1
Archaeometrical contribution of synchrotron beamlines	1
Collaborative software solutions and data standards for ptychographic imaging	0
The phase transitions of scandium aluminium tungstate; an exploration of zero thermal expansion materials under pressure	0
Materials discovery through machine learning: experimental validation and interpretable models	0
Steps forward beyond the crystal structures: MAXS reveals the potential massive movements during the catalytic action of a kinase	0
Effects upon substitution in alkali metal thallides: how far can X-ray structure determination of strongly absorbing compounds go?	0
Characterisation by X-ray diffraction of bidentate and tridentate PCP and PCN NHC core pincer-type Mn(I) complexes	0
Combining X-rays, neutrons and electrons, and NMR, for precision and accuracy in structure–function studies	0
Solid solutions as a means to investigate and exploit the structure–property relationships in molecular crystals	0
Validation and archival of MicroED data	0
CNCC – Concurso Nacional de Crecimiento de Cristales de Uruguay: 10 years of a successful crystal growing competition for schoolchildren and more	0
MicroED structure of a protoglobin reactive carbene intermediate	0
Supramolecular isomerism in coordination polymers of CdII with an imidazole-based dipodal ligand	0
Thermal motion and position of hydrogen bonded to transition metals in coordination complexes studied with HAR combined with SHADE3 or NoMoRe	0
Using (3+1)D space to investigate a modulated superstructure mystery	0
Routine room-temperature structure determination from protein crystals in situ on Diamond beamline VMXi using the Crystallisation Facility at Harwell	0
Structural investigations of arginyltransferases	0
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry	0
Advances using machine learning and computational tools for crystal growth and detection	0
The transmembrane protease TMPRSS2 as a potential target for treatment of virus infection	0
New opportunities for structural biology research at LCLS and SSRL	0
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	0
Why is heptagonal symmetry so rare in art and architecture?	0
Development of gigapixel imaging XAFS	0
Characterization of metal carboxylates relevant for degradation of oil paintings by complementary XRPD and ssNMR	0
Structural chemistry of azulenes	0
Deep learning applications in protein crystallography	0
RNA X-ray structures at atomic resolution that contain an essential constituent of the mRNA vaccines: N1-methylpseudouridine	0
Comparing ATAD2/B bromodomain structure–function differences in the dynamic epigenetic landscape	0
Protein crystallization 'de-optimization' for microED	0
Tangled piecewise-linear embeddings of trivalent graphs	0
Pseudo-centrosymmetry can confuse automatic space group determination	0
Improvements to the XIPHOS I ultra-low-temperature diffraction facility	0
Structure-directing Ag...π interactions in coordination complexes	0
Online and 3D-printed resources for introducing crystallographic concepts	0
Copper–cyano–thiocyanato anionic frameworks	0
n→π* charge transfer between an iodide anion and a quinoid ring	0
Glycan-mediated activation of B cells in chronic lymphocytic leukaemia subsets	0
Room-temperature X-ray/neutron crystallography to uncover SARS-CoV-2 main protease function and design potent inhibitors	0
On incoherent diffractive imaging	0
CheckMyMetal 2.0: a macromolecular metal-binding validation and modeling tool	0
Simultaneous DSC and structural studies of liposomes	0
Cryo-EM structures reveal dramatic remodeling of the p97 hexamer by the multi-domain adapter UBXD1	0
Structure of the endosomal Commander complex mutated in Ritscher-Schinzel syndrome: combining crystallography, cryo-EM and AlphaFold2	0
In situ photoswitching of spirorhodamine isomers in the solid state	0
Potential materials genome for mapping the continuous space of all periodic crystals	0
Understanding small rhenium molecules kinetically and structurally in a macromolecular setting	0
High-throughput and high-resolution powder diffraction measurement system for accelerating green materials science and engineering	0
Enhancing structure determination from powder X-ray diffraction data through multi-technique synergy	0
Determination of chemical composition and thickness of the very thin film in a heteroepitaxial multilayer by a combination of X-ray measurements	0
Hierarchical structures of polysaccharides	0
New hydrated salts of sparfloxacin: a supramolecular synthon analysis	0
Small-angle scattering tensor tomography algorithm for robust reconstruction of complex textures	0
Protein assembly and crystallization with synthetic macrocycles	0
Sterol–crystallin interaction mediated by membranes	0
Experimental study of dynamic structural transformations between copper(II) coordination polymers with 5-fluorouracil-1-acetic acid and 4,4-bipyridine	0
Disulfide bond formation between T-cell receptor and peptide epitope lowers the threshold of activation	0
Data management and data validation best practices from the perspective of a data repository	0
Code crack of colour diversity	0
Combined structural, spectroscopic, electrochemical and magnetic study of nickel(II) pyrazolates: dinuclear [Ni2], linear [Ni3] and triangular [Ni3] incorporating five	0
Can you SQUEEZE an ion? And if not, why not?	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
MacCHESS: MX and BioSAXS capabilities	0
Algorithms for magnetic symmetry operation search and identification of magnetic space group from magnetic crystal structure	0
In situ XRPD analysis of active carbon supported Co–Mo ammonia synthesis catalyst activation	0
Experimental visualization of conduction pathways and direct observation of fast lithium-ion diffusion in superionic conductors using neutron scattering	0