Acta Crystallographica A-Foundation and Advances

Article	Citations
Delone lattice studies in C 3, the space of three complex variables	28
Biophysical characterization of the Pseudomonas aeruginosa BqsR/BqsS two-component system	26
Increasing STEM persistence through CUREs and community	18
Synthesis and topotactic manipulation of layered oxysulfide CaSrMnO2Cu4−δS3	15
Importance of polymorphism in improving the potency of bioactive molecules	14
Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data	14
Revisiting the crystal structure and magneto-elastic coupling in MnZnSb	12
Nitroxide with diphenylphosphino moiety: synthesis, supramolecular structure, biology and catalysis	12
Transient domain structure of coalescence-induced self-organization in droplet phase separation	12
Structure of sustainable lead-free low-melting vanadate glass	12
Low-power photo-carving of dye-volatile co-crystals: the sublime cutting edge of light-responsive materials	11
Reciprocal-space refinement and map calculation for cryo-EM single-particle structures	10
Magnetic pair distribution function analysis of antiferromagnetic semiconductor MnTe	10
X-TechLab training sessions in Benin: towards borderless science education	10
Prediction of the atomic structure of two-dimensional materials on substrates	8
Quantum crystallography and spintronic materials	8
Enabling high-energy large-unit-cell ultra-high-resolution X-ray crystallography on the P14 at PETRAIII beamline	8
Coupled ptychography and tomography reconstruction of experimental data	8
Neutron and X-ray scattering to characterize adsorbents and their hosts	7
Departures from near inversion symmetry using amino acid hydrogen oxalate quasiracemates	7
A 'disordered' gold in a dicyanoaurate-lanthanide coordination polymer	7
Convergent beam X-ray diffraction using multilayer Laue lenses – an exploration following in John's footsteps	7
Assessing AlphaFold predictions	7
Infiltration of single-ion magnets into metal–organic frameworks for controlled nanostructuration: translation of density functional theory to the experiment	6
The ensemble of TELSAM crystallization behaviors	6

Successful sample preparation for serial crystallography at synchrotrons and XFELs	6
Evidence for pressure-induced unconventional quantum criticality in the coupled spin-ladder antiferromagnet C9H18N2CuBr4	6
Remote experiments at SRS beamlines at Advanced Photon Source	6
Probing pressure-driven protein phase behavior via in situ high-pressure scattering methods	6
Structural and bioinformatic analysis of an ancient enzyme family	6
Structural studies of the human particulate guanylyl cyclase receptor A (Pgc-A) to support therapeutics for cardiovascular diseases	6
Pore architecture of the MIL-53(Al) mechanically controlled to intelligently modulate CO2 adsorption	6
Approximate rotational symmetries in electron nanodiffraction from amorphous materials	5
Synthesis and characterization of the solid-solution series NaYb1−x Lu x S2 in the α-NaFeO2	5
Coherent X-ray diffraction imaging on the D2AM (BM02) beamline	5
Temperature and pressure stability of Li graphite intercalation compounds	5
EASY GOV: innovative platform for laboratory management	5
Factors governing photoswitchability of selected nickel(II) nitro complexes	5
New drug–drug salt forms of ciprofloxacin with fenamic acids	5
Operando X-ray diffraction studies of NASICON-type positive electrodes for Na-ion batteries	4
Crystallographic structures of aIF5B from Pyrococcus abyssi in its GDP and GTP-bound forms	4
Cysteine synthase: a key enzyme in the cysteine synthesis pathway and a novel drug target for Chagas disease	4
An interactive tool to explore the two-dimensional Fourier transform	4
Evaluating the accuracy of Rietveld analysis for diffraction data from nanocrystalline powders	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
Searching for a hydrogen-ordered counterpart of ice IV through in situ high-pressure powder neutron diffraction experiments	4
The XtaLAB Synergy-ED: progress and latest results	4
EMBL at PETRA4 – an integrated facility for structural biology and imaging	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	4
Structural and molecular characterization of the aminoglycoside phosphotransferase APH(3')-IIb from Pseudomonas aeruginosa	4
Comparative characterization of two new SiO2–CaO–P2O5 bioactive glasses	4
BioMAX and FragMAX: trends and developments on a fourth-generation macromolecular crystallography beamline	3
Electron diffraction analysis of a 3D covalent organic framework	3
Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study	3
High-speed X-ray ptychographic tomography at the Diamond Light Source	3
High-pressure behavior and metastable phases of Si x Ge1−x alloys	3
Crystal structure of a unique activating sulfotransferase SgdX2 involved in the sungeidine biosynthesis	3
The preferential orientation of silicon phases formed during non-hydrostatic compression	3
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	3
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	3
Using crystal structures from the Cambridge Structural Database in schools	2
Investigation of the milling characteristics of different focused ion beam sources assessed by three-dimensional electron diffraction from crystal lamellae	2
Core Facility for Crystallographic and Biophysical Research to support the development of medicinal products	2
The structural panorama of L-asparaginases includes an alien from nitrogen-fixing bacteria	2
Short-range charge-density wave order in La1.88Sr0.12CuO4 under uniaxial pressure	2
Multiple high-resolution structures providing the insights of glucose tolerance in GH1 family β-glucosidases	2
The magnetic–structural relationships of [CuX 6]4− (X = Cl− or Br−) perovskites containing n-carboxyalkylammonium cat	2
AI and structural biology: the future of biomolecular structure determination	2
Shedding a new light on nitro compounds: NIR-emitting quadrupole-structured dyes	2
Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	2
Situations where small-molecule raw data should be made available	2
Large magnetovolume effect in a cobaltite perovskite	2
Hybrid improper ferroelectricity in columnar (NaY)MnMnTi4O12	2
Controlling nanoparticle synthesis derived from bimetallic metal–organic frameworks	2
Novel targets in old rogues: integrative structural biology approach for discovery of natural product inhibitors	2

On the effectiveness of first-year-of-university mathematics and somewhat brute force computing when developing new methods in crystallography	2
Pushing technique boundaries to probe conformational polymorphism	2
Single-crystal structure analysis of Ni3Se2 and Debye temperatures of Ni chalcogenides	2
Decocrystallization as a new route to elusive polymorphs	2
Morphological reconstruction from powder diffraction data	2
Novel nonlinear optical crystal of L-arginine dichloride	2
Magnetism of gallium cuboferrites	2
Piezosolvatochromic insights into solvent–solute interactions	2
Investigating the crystallization behaviour of Ge-rich GST PCMs with in situ synchrotron XRD	2
Result of using atoms and centrosymmetric cubic space groups	2
Teaching crystallography on real data in life sciences and beyond	2
Targeting the sphingolipid biosynthesis pathway of protozoan parasites as drug targets	2
Single-crystal XRD: black box versus experienced crystallographer	2
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	2
Open the black box with X-Area's intuitive, interactive and colourful data quality assessment graphics	2
A PPR protein-based FRET sensor for RNA	2
Anticancer activities of acetylacetone coordinated ReI tricarbonyl complexes: a single-crystal investigation, spectroscopic and DFT studies and in silico molecular docking	1
A simple formula for determining nanoparticle size distribution by combining small-angle X-ray scattering and diffraction results	1
Scipion-ed: a workflow-based and self-documenting program for 3D-ED data processing	1
A new NMR crystallographic protocol based on quadrupolar nuclei	1
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	1
Structural basis for enzymatic terminal C—H bond functionalization of alkanes	1
Controlling crystallization pathways and kinetics in multiferroic Bi2Fe4O9	1
Disentangling coupled degrees of freedom in quantum materials	1
Luminescent Eu-hydroxyapatite for imaging applications	1
Structural characterization of spermidine methyltransferase, a novel member of the plant aminopropyltransferase family from Erythroxylum coca	1
A toolkit for young crystallographers in need of more learning resources	1
The influence of wavefunction's basis set on the fit of multipole model to wavefunction	1
Structural basis of an anti-cancer biological warhead bound to its target CDCP1 for the diagnosis and treatment of epithelial cancers	1
Refinement on electron diffraction data in MoPro: a quest for improved structure model	1
Structural complexity in amorphous calcium carbonate	1
Diversity and similarity in isonicotinamide two-component phases with alkyl carboxylic acids: focus on solvates	1
Development of reference standard for small-angle scattering measurement q calibration	1
Combined X-ray studies on metalloenzymes at room temperature	1
First implementation of tight-binding methods (xTB) for quantum crystallographic refinement	1
Where to start: the dynamic adventure of identifying start codons in mRNAs	1
Unravelling the components of diffuse scattering using deep learning	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
Photo-induced electron transfer in pyrene-(CH2)2-N,N′-dimethylaniline: time-resolved pink Laue X-ray diffraction studies on crystalline polymorphs	1
Local structures in BIMEVOX oxide ion conductors	1
Combining mechanochemistry and structural analysis for the design of nanocrystalline reticular materials	1
Crystal and magnetic structures and dielectric phase transition of the novel organic–inorganic hybrid halometallate compound (quinuclidine)[FeCl4]	1
Towards prevention of septic shock syndrome: structural and functional studies of PGRP and its complexes with various PAMPs	1
Total scattering at grazing incidence to study real thin-film systems at variable temperature	1
DISCOVER: a total scattering diffractometer for materials discovery at the SNS	1
Study of electrical stimulation-responsive hydrogels by rheo-SAXS measurement	1
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	1
Growth forms of grid tilings	1
Growth and spectroscopic studies of Na2W2O7 crystals doped with Ce+4 and Cr+3 ions, promising scintillation detectors of elementary particles	1
Exploring polysaccharide lyases of PL-5 family through the lens of structure, function and dynamics	1
Determining suitable periodic DFT methods for modelling Titan-relevant molecular minerals	1
Lattice disorder and oxygen migration pathways in pyrochlore and defect-fluorite oxides	1
Superstructure reflections in tilted perovskites	1
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	1
Understanding preferences for double-stranded RNA cleavage by SARS-Cov-2 enzyme Nsp15	1
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	1
Molecular symmetry and art: visualizing the near-symmetry of molecules in Piet Mondrian's De Stijl	1
Half way to hypusine. Molecular basis of deoxyhypusination	1
Hydrogen-bond architecture in a series of allylamine and normal alcohols (C1–C10) cocrystals	1
Finding the Bravais lattice of a '1/N' size supercell from error-containing lattice parameters	1
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity	1
Structures of honeybee-infecting virus reveal domain functions and capsid assembly with dynamic motions	1
Insights into the bonding nature of arsenic, phosphorus and sulfur ylides: an answer from quantum crystallography	1
Serial diffractive imaging to visualize ultrafast dynamics in nanoscale systems	1
Tailoring halogen-bond donors for crystal engineering	1
Studies of LysSi3, a Gram-negative targeting endolysin with broad bactericidal activity	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
Pre-nucleation clusters in liquid benzoic acid	1
Quantitative analysis of diffuse electron scattering in the lithium ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2	1
Shape measurement by tracking topology in phase contrast and diffraction	1
Archaeometrical contribution of synchrotron beamlines	1
Imidazole-based ambiphilic ligands for anion sensing, metallation and photophysical properties	1
Study of the charge-density wave in a Dirac semimetal Ir2In8Se	1
Understanding ladderane biosynthesis: towards structural and mechanistic insights from an anammox β-ketoacyl-ACP-synthase II	1
Outcomes from EMDataResource model challenges	1
A fast algorithm to find reduced hyperplane unit cells and solve N-dimensional Bézout's identities	1
Assuring quality in Rietveld refinements	1
High-throughput scattering data processing on field-programmable gate arrays	1
Theoretical and experimental analysis of the isolobal principle	1
The untold story of the world's most common crystal structure	1

X-ray crystallography and AlphaFold reveal the structure of acetyl-CoA-carboxylase from Nitrosopumilus maritimus	1
Temperature and composition evolution of lattice, charge-density wave and superconducting orders in Ta-based dichalcogenides by total X-ray scattering	1
Structural insights into RNA-guided DNA insertion of type V CRISPR-associated transposons	1
Combining RMC and PDF methods to characterize amorphous drugs	1
Sub-millisecond XRD measurement system while changing temperature and pressure using diamond anvil cells on beamline B10XU of SPring-8	1
Structural and spectroscopic details of 'magnesium hydroxide sulfate hydrate' (MHSH), representing the enigmatic 'low-humidity' kieserite on Mars	1
TLR4 TIR domain higher-order assemblies reveal the structural basis of adaptor recruitment in Toll-like receptor signaling pathways	1
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography	1
Chiral heterometallic Cu/Ln complexes from enantiopure Schiff base ligands	1
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	1
Order from disorder: towards molecular architecture of the muscle Z-disk assembly by integrative structural biology	1
Structure relations of belite and alite polymorphs	1
In situ liquid-phase 3D-ED/microED for studying polymorphism	1
Investigation of a novel organocobalt complex of B12 model catalyst	1
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	1
Challenge for fabrication of silk-based sustainable products based on microscopic biomimetics of hierarchical structure in native silks	1
Polar amalgams: structure–property relations in bad metals	1
Sweet protein crystallography in post-AlphaFold era	1
Structural and functional characterisation of plant TIR domains and their role in plant innate immunity	1
AlphaFold database and its impact on the crystallographic world	1
Ultrafast dynamic diffraction wavefronts in strained Si imagined with tele-ptychography	1
Engineering SilkCatcher/Tag pairs for production of native-sized spider silk proteins	1
Laser-heated rapid decompression of enstatite (Mg2Si2O6): constraining impact barometry	1
Using the Gold Standard for data archival at kilohertz speeds	1
Oscillation system of cyanobacterial circadian clock system revealed by an integral approach with SAXS, SANS and AUC	1
When is experimental phasing of protein crystals needed for structure solution, post-AlphaFold 2?	1
On the quality of three-dimensional electron diffraction data for direct location of guest molecules in open-framework materials	1
Teaching Edition of International Tables for Crystallography: Crystallographic symmetry. Edited by Mois I. Aroyo. IUCr/Wiley, 2021. Softcover, pp. xii + 236. ISBN 978-0-470-97422-3. Pric	1
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	1
Fluorooxoborates: novel candidates for deep-UV nonlinear optical materials	1
eSPC, an online data analysis platform for molecular biophysics	1
Advances using machine learning and computational tools for crystal growth and detection	0
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	0
Chaotic advection mixer for capturing transient states of diverse biological macromolecular systems with time-resolved small-angle X-ray scattering	0
Experimental visualization of conduction pathways and direct observation of fast lithium-ion diffusion in superionic conductors using neutron scattering	0
In situ XRPD analysis of active carbon supported Co–Mo ammonia synthesis catalyst activation	0
The phase transitions of scandium aluminium tungstate; an exploration of zero thermal expansion materials under pressure	0
MicroED structure of a protoglobin reactive carbene intermediate	0
Structure of the endosomal Commander complex mutated in Ritscher-Schinzel syndrome: combining crystallography, cryo-EM and AlphaFold2	0
Deep learning applications in protein crystallography	0
CNCC – Concurso Nacional de Crecimiento de Cristales de Uruguay: 10 years of a successful crystal growing competition for schoolchildren and more	0
Temporal ghost imaging for pump–probe X-ray solution scattering	0
Supramolecular isomerism in coordination polymers of CdII with an imidazole-based dipodal ligand	0
Data management and data validation best practices from the perspective of a data repository	0
Copper–cyano–thiocyanato anionic frameworks	0
n→π* charge transfer between an iodide anion and a quinoid ring	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
Why is heptagonal symmetry so rare in art and architecture?	0
Concurrent crystallization of multiple proteins in a single cell without interfering with each other's phase separation events	0
Algorithms for magnetic symmetry operation search and identification of magnetic space group from magnetic crystal structure	0
Room-temperature X-ray/neutron crystallography to uncover SARS-CoV-2 main protease function and design potent inhibitors	0
The transmembrane protease TMPRSS2 as a potential target for treatment of virus infection	0
CheckMyMetal 2.0: a macromolecular metal-binding validation and modeling tool	0
Glycan-mediated activation of B cells in chronic lymphocytic leukaemia subsets	0
Cryo-EM structures reveal dramatic remodeling of the p97 hexamer by the multi-domain adapter UBXD1	0
Development of gigapixel imaging XAFS	0
Enhancing structure determination from powder X-ray diffraction data through multi-technique synergy	0
Structural chemistry of azulenes	0
Hierarchical structures of polysaccharides	0
RNA X-ray structures at atomic resolution that contain an essential constituent of the mRNA vaccines: N1-methylpseudouridine	0
A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy withFlexCryst	0
Pseudo-centrosymmetry can confuse automatic space group determination	0
Small-angle scattering tensor tomography algorithm for robust reconstruction of complex textures	0
Structure-directing Ag...π interactions in coordination complexes	0
Sterol–crystallin interaction mediated by membranes	0
Disulfide bond formation between T-cell receptor and peptide epitope lowers the threshold of activation	0
Routine room-temperature structure determination from protein crystals in situ on Diamond beamline VMXi using the Crystallisation Facility at Harwell	0
Real-time pre-processing of serial crystallography	0
Thermal motion and position of hydrogen bonded to transition metals in coordination complexes studied with HAR combined with SHADE3 or NoMoRe	0
Protein crystallization 'de-optimization' for microED	0
New opportunities for structural biology research at LCLS and SSRL	0
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry	0
Can you SQUEEZE an ion? And if not, why not?	0
Simultaneous DSC and structural studies of liposomes	0
MacCHESS: MX and BioSAXS capabilities	0
Determination of chemical composition and thickness of the very thin film in a heteroepitaxial multilayer by a combination of X-ray measurements	0
From integrative structural biology to cell biology	0
Potential materials genome for mapping the continuous space of all periodic crystals	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
Tangled piecewise-linear embeddings of trivalent graphs	0
Steps forward beyond the crystal structures: MAXS reveals the potential massive movements during the catalytic action of a kinase	0
Synthesis and crystal growth of RhIV oxides with double perovskite structure	0
Protein assembly and crystallization with synthetic macrocycles	0
Validation and archival of MicroED data	0
Experimental study of dynamic structural transformations between copper(II) coordination polymers with 5-fluorouracil-1-acetic acid and 4,4-bipyridine	0
New hydrated salts of sparfloxacin: a supramolecular synthon analysis	0
Improvements to the XIPHOS I ultra-low-temperature diffraction facility	0
Code crack of colour diversity	0
Online and 3D-printed resources for introducing crystallographic concepts	0
Solid solutions as a means to investigate and exploit the structure–property relationships in molecular crystals	0
Combined structural, spectroscopic, electrochemical and magnetic study of nickel(II) pyrazolates: dinuclear [Ni2], linear [Ni3] and triangular [Ni3] incorporating five	0
Structural investigations of arginyltransferases	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