Acta Crystallographica A-Foundation and Advances

Article	Citations
Delone lattice studies in C 3, the space of three complex variables	29
Biophysical characterization of the Pseudomonas aeruginosa BqsR/BqsS two-component system	27
Increasing STEM persistence through CUREs and community	18
Enabling high-energy large-unit-cell ultra-high-resolution X-ray crystallography on the P14 at PETRAIII beamline	16
Convergent beam X-ray diffraction using multilayer Laue lenses – an exploration following in John's footsteps	15
Assessing AlphaFold predictions	14
Departures from near inversion symmetry using amino acid hydrogen oxalate quasiracemates	14
A 'disordered' gold in a dicyanoaurate-lanthanide coordination polymer	12
Neutron and X-ray scattering to characterize adsorbents and their hosts	11
Infiltration of single-ion magnets into metal–organic frameworks for controlled nanostructuration: translation of density functional theory to the experiment	10
Evidence for pressure-induced unconventional quantum criticality in the coupled spin-ladder antiferromagnet C9H18N2CuBr4	10
Remote experiments at SRS beamlines at Advanced Photon Source	9
Structural and bioinformatic analysis of an ancient enzyme family	9
Probing pressure-driven protein phase behavior via in situ high-pressure scattering methods	8
Pore architecture of the MIL-53(Al) mechanically controlled to intelligently modulate CO2 adsorption	8
Successful sample preparation for serial crystallography at synchrotrons and XFELs	8
The ensemble of TELSAM crystallization behaviors	8
Structural studies of the human particulate guanylyl cyclase receptor A (Pgc-A) to support therapeutics for cardiovascular diseases	8
Coherent X-ray diffraction imaging on the D2AM (BM02) beamline	7
EASY GOV: innovative platform for laboratory management	7
The XtaLAB Synergy-ED: progress and latest results	6
Factors governing photoswitchability of selected nickel(II) nitro complexes	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
Synthesis and characterization of the solid-solution series NaYb1−x Lu x S2 in the α-NaFeO2	6
Temperature and pressure stability of Li graphite intercalation compounds	6
Evaluating the accuracy of Rietveld analysis for diffraction data from nanocrystalline powders	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
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
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
BioMAX and FragMAX: trends and developments on a fourth-generation macromolecular crystallography beamline	4
The preferential orientation of silicon phases formed during non-hydrostatic compression	4
Machine learning assisted reverse Monte Carlo modeling for neutron total scattering data	4
High-speed X-ray ptychographic tomography at the Diamond Light Source	4
Electron diffraction analysis of a 3D covalent organic framework	4
Searching for a hydrogen-ordered counterpart of ice IV through in situ high-pressure powder neutron diffraction experiments	4
High-pressure behavior and metastable phases of Si x Ge1−x alloys	4
Crystal structure of a unique activating sulfotransferase SgdX2 involved in the sungeidine biosynthesis	4
Single-crystal structure analysis of Ni3Se2 and Debye temperatures of Ni chalcogenides	3
Structural analysis of clock protein complex in solution by the integrated approach with analytical ultracentrifugation and small-angle scattering	3
Situations where small-molecule raw data should be made available	3
Visualizing macromolecular structures in situ by cryo-EM and cryo-ET	3
Morphological reconstruction from powder diffraction data	3
Mutation on NPC1L1 NTD and the sterol binding stability: molecular dynamics study	3
Activated bacterial TIR proteins: NADase activity and filamentous assemblies	3
Large magnetovolume effect in a cobaltite perovskite	3
Novel nonlinear optical crystal of L-arginine dichloride	3
A PPR protein-based FRET sensor for RNA	3
Shedding a new light on nitro compounds: NIR-emitting quadrupole-structured dyes	2
Single-crystal XRD: black box versus experienced crystallographer	2
Open the black box with X-Area's intuitive, interactive and colourful data quality assessment graphics	2
Pushing technique boundaries to probe conformational polymorphism	2
On the effectiveness of first-year-of-university mathematics and somewhat brute force computing when developing new methods in crystallography	2
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography	2
Magnetism of gallium cuboferrites	2
Decocrystallization as a new route to elusive polymorphs	2
AI and structural biology: the future of biomolecular structure determination	2
Hybrid improper ferroelectricity in columnar (NaY)MnMnTi4O12	2
Multiple high-resolution structures providing the insights of glucose tolerance in GH1 family β-glucosidases	2
Structural basis for enzymatic terminal C—H bond functionalization of alkanes	2
Sweet protein crystallography in post-AlphaFold era	2
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
Piezosolvatochromic insights into solvent–solute interactions	2
Structural characterization of spermidine methyltransferase, a novel member of the plant aminopropyltransferase family from Erythroxylum coca	2
Teaching crystallography on real data in life sciences and beyond	2
Understanding preferences for double-stranded RNA cleavage by SARS-Cov-2 enzyme Nsp15	2
Targeting the sphingolipid biosynthesis pathway of protozoan parasites as drug targets	2
Investigation of soluto-capillary convection in Ge x Si1−x melts – 15 years of microgravity research	1
Chiral heterometallic Cu/Ln complexes from enantiopure Schiff base ligands	1

Assuring quality in Rietveld refinements	1
Polar amalgams: structure–property relations in bad metals	1
Structure determination of nanocrystalline metal–organic frameworks by 3D electron diffraction	1
TLR4 TIR domain higher-order assemblies reveal the structural basis of adaptor recruitment in Toll-like receptor signaling pathways	1
Structural and spectroscopic details of 'magnesium hydroxide sulfate hydrate' (MHSH), representing the enigmatic 'low-humidity' kieserite on Mars	1
A simple formula for determining nanoparticle size distribution by combining small-angle X-ray scattering and diffraction results	1
Combining mechanochemistry and structural analysis for the design of nanocrystalline reticular materials	1
Archaeometrical contribution of synchrotron beamlines	1
Where to start: the dynamic adventure of identifying start codons in mRNAs	1
Pre-nucleation clusters in liquid benzoic acid	1
Structure relations of belite and alite polymorphs	1
Structural basis for strychnine activation of human bitter taste receptor TAS2R46	1
Tailoring halogen-bond donors for crystal engineering	1
Incommensurate structures and radiation damage in K2V3O8 and Rb2V3O8 mixed-valence vanadate fresnoites	1
Structures of honeybee-infecting virus reveal domain functions and capsid assembly with dynamic motions	1
Sub-millisecond XRD measurement system while changing temperature and pressure using diamond anvil cells on beamline B10XU of SPring-8	1
Molecular symmetry and art: visualizing the near-symmetry of molecules in Piet Mondrian's De Stijl	1
The development of metal–organic frameworks for oxygen separation that is both reversible and selective at room temperature	1
Anticancer activities of acetylacetone coordinated ReI tricarbonyl complexes: a single-crystal investigation, spectroscopic and DFT studies and in silico molecular docking	1
Superstructure reflections in tilted perovskites	1
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity	1
Disentangling coupled degrees of freedom in quantum materials	1
Order from disorder: towards molecular architecture of the muscle Z-disk assembly by integrative structural biology	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
Insights into the bonding nature of arsenic, phosphorus and sulfur ylides: an answer from quantum crystallography	1
Finding the Bravais lattice of a '1/N' size supercell from error-containing lattice parameters	1
Laser-heated rapid decompression of enstatite (Mg2Si2O6): constraining impact barometry	1
Pyrazine diyldimethanol – water-based room-temperature synthesis and single-crystal structural characterization of new coordination polymers, hydrogen bonding, halogen bonding	1
Diversity and similarity in isonicotinamide two-component phases with alkyl carboxylic acids: focus on solvates	1
Targeting multiple proteins that scavenge, transport and metabolize Neu5AC in Gram-negative bacteria	1
A toolkit for young crystallographers in need of more learning resources	1
High-throughput scattering data processing on field-programmable gate arrays	1
First implementation of tight-binding methods (xTB) for quantum crystallographic refinement	1
DISCOVER: a total scattering diffractometer for materials discovery at the SNS	1
Growth forms of grid tilings	1
When is experimental phasing of protein crystals needed for structure solution, post-AlphaFold 2?	1
Engineering SilkCatcher/Tag pairs for production of native-sized spider silk proteins	1
Structural insights into RNA-guided DNA insertion of type V CRISPR-associated transposons	1
Half way to hypusine. Molecular basis of deoxyhypusination	1
AlphaFold database and its impact on the crystallographic world	1
The untold story of the world's most common crystal structure	1
The influence of wavefunction's basis set on the fit of multipole model to wavefunction	1
Understanding ladderane biosynthesis: towards structural and mechanistic insights from an anammox β-ketoacyl-ACP-synthase II	1
Luminescent Eu-hydroxyapatite for imaging applications	1
Investigation of a novel organocobalt complex of B12 model catalyst	1
Deep learning applications in protein crystallography	0
Automation of room-temperature data collection on BIOMAX beamline	0
CNCC – Concurso Nacional de Crecimiento de Cristales de Uruguay: 10 years of a successful crystal growing competition for schoolchildren and more	0
Cell-free and in-cell protein crystallization for high-throughput screening of structure determination	0
A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy withFlexCryst	0
In situ 3D-ED in liquid to study the structural transformation of functional materials during electrochemical reactions: challenges and progress	0
Pseudo-centrosymmetry can confuse automatic space group determination	0
Information-theoretic point-symmetry classifications and quantifications of electron diffraction spot patterns from crystals and quasicrystals	0
Potential materials genome for mapping the continuous space of all periodic crystals	0
Online and 3D-printed resources for introducing crystallographic concepts	0
Teaching crystallographic symmetry	0
Hierarchical structures of polysaccharides	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
Fragment screening as a tool for the search of human dihydroorotate dehydrogenase inhibitors	0
Enhancing structure determination from powder X-ray diffraction data through multi-technique synergy	0
Experimental visualization of conduction pathways and direct observation of fast lithium-ion diffusion in superionic conductors using neutron scattering	0
Chaotic advection mixer for capturing transient states of diverse biological macromolecular systems with time-resolved small-angle X-ray scattering	0
Cellular activation pathway of bemnifosbuvir (AT-527), a drug candidate against SARS-CoV-2 infections	0
Structural investigation of AlsA, a radical S-adenosylmethionine enzyme involved in the biosynthesis of the oxetane-containing herbicide albucidin	0
Growth of the PDB archive requires transition to PDBx/mmCIF format files	0
Simultaneous DSC and structural studies of liposomes	0
Can you SQUEEZE an ion? And if not, why not?	0
Structural studies of a mitochondrial RNA importer	0
Towards a structural investigation of MamP, a key player in redox control during magnetosome maturation	0
Epitaxial intergrowths and local oxide displacements in natural bixbyite	0
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry	0
Polymorphs of two N-alkylated isoindigo dyes	0
Automation at the Automated Macromolecular Crystallography (AMX) beamline at NSLS-II	0
RNA X-ray structures at atomic resolution that contain an essential constituent of the mRNA vaccines: N1-methylpseudouridine	0
Room-temperature X-ray/neutron crystallography to uncover SARS-CoV-2 main protease function and design potent inhibitors	0
Multi-technique study of the magnetic anisotropy in two CoII based molecular magnets	0
Allosteric activation of choanoflagellate soluble guanylate cyclase and the evolution of NO signaling in animals	0
Structure of the endosomal Commander complex mutated in Ritscher-Schinzel syndrome: combining crystallography, cryo-EM and AlphaFold2	0
Structural reports of four flavonoids and ITC binding study of one with SARS-CoV-2 papain-like protease	0

Universal parameters of bulk-solvent masks	0
Mind the miscibility gap: cationic disorder drives non-equilibrium phase transformations during electrochemical cycling of LiNi0.5Mn1.5O4	0
Laboratory RheoSAXS studies of non-ionic surfactants	0
Ultrafast X-ray diffraction and scattering on the femtosecond X-ray experiment (FXE) instrument at the European XFEL: present status and future perspectives	0
FemtoMAX – a beamline for ultrafast pump/X-ray probe experiments	0
Outstanding challenges for conformational heterogeneity analysis in single-particle cryo-EM	0
Thermal motion and position of hydrogen bonded to transition metals in coordination complexes studied with HAR combined with SHADE3 or NoMoRe	0
Defective CuI/InIII corners trapped in an ordered lattice of barium copper indium selenide	0
Experimental study of dynamic structural transformations between copper(II) coordination polymers with 5-fluorouracil-1-acetic acid and 4,4-bipyridine	0
Observation of slight twisting in dislocation-free protein crystals	0
Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness	0
Time-resolved binding of initiation factor 1 to the ribosomal decoding center	0
Supramolecular isomerism in coordination polymers of CdII with an imidazole-based dipodal ligand	0
Micro-focus Raman studies on elastically flexible small peptide crystals	0
Temporal ghost imaging for pump–probe X-ray solution scattering	0
High-throughput and high-resolution powder diffraction measurement system for accelerating green materials science and engineering	0
New hydrated salts of sparfloxacin: a supramolecular synthon analysis	0
Structural and physical properties of R-BTBT-CONHC14H29 (R = H, C8H17)	0
Development of gigapixel imaging XAFS	0
Disulfide bond formation between T-cell receptor and peptide epitope lowers the threshold of activation	0
Development of giant crystalline molecular rotor mediated by bulky N-heterocyclic carbene gold(I) complex	0
Interoperability of databases as viewed by the publisher	0
MicroED structure of a protoglobin reactive carbene intermediate	0
Understanding substrate binding and delivery through the bi-chaperone Hsp104–Hsp70 supercomplex	0
Discovery and structural characterization of novel nanobodies targeting the Cavin1 complex essential for forming caveola membrane vesicles	0
De novo-designed transmembrane domains tune chimeric antigen receptor function	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
Structural investigations of arginyltransferases	0
The structural revelation of the smallest functional pyruvate kinase from Entamoeba histolytica	0
Structural landscape of SARS-CoV-2 entry and activation of spike glycoprotein by engaging unique host factors and potential interventions	0
What have we learned from the 7th Blind Test of Crystal Structure Prediction? Triumphs, challenges and insights	0
The transmembrane protease TMPRSS2 as a potential target for treatment of virus infection	0
Advances using machine learning and computational tools for crystal growth and detection	0
Transition metal elements in coloured beryl: application of anomalous X-ray scattering	0
Bulk crystal growth of materials with possible novel quantum states with RMX structure type	0
Atomic structure transformations of C-doped Ge2Sb2Te5 using in situ X-ray scattering	0
Combined structural, spectroscopic, electrochemical and magnetic study of nickel(II) pyrazolates: dinuclear [Ni2], linear [Ni3] and triangular [Ni3] incorporating five	0
Phase transitions and negative thermal expansion in metal oxyfluorides	0
Microgravity crystallization and neutron diffraction of perdeuterated tryptophan synthase	0
Solid solutions as a means to investigate and exploit the structure–property relationships in molecular crystals	0
Neutron scattering experiments with high magnetic fields in organic magnets	0
CCP4 Cloud as a system for crystallography teaching	0
Code crack of colour diversity	0
Pursuing accurate crystallography without diffraction – NMR crystallography	0
Data management and data validation best practices from the perspective of a data repository	0
Colorings of patterns fixed by an arbitrary finite-index subgroup of the symmetry group	0
Routine room-temperature structure determination from protein crystals in situ on Diamond beamline VMXi using the Crystallisation Facility at Harwell	0
Ultrafast optical spectroscopy of molecules using quantum light	0
Structural determination of a photoemissive chiral 3D silver(I)-benzenedithiolate coordination polymer	0
Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitrophenyl)piperazine	0
Small-angle scattering tensor tomography algorithm for robust reconstruction of complex textures	0
Conceptual design of a beamline for classical XAFS spectroscopy at the future ultra low emittance storage ring PETRA IV	0
Structure-directing Ag...π interactions in coordination complexes	0
Capillary crystallization: a versatile tool for chemical crystallography and absolute configuration determination	0
Real-time pre-processing of serial crystallography	0
Improvements to the XIPHOS I ultra-low-temperature diffraction facility	0
Protein assembly and crystallization with synthetic macrocycles	0
Portable energy-dispersive X-ray diffraction analyser for lunar applications	0
The phase transitions of scandium aluminium tungstate; an exploration of zero thermal expansion materials under pressure	0
Protein crystallization 'de-optimization' for microED	0
Dual-axis aligned artificial water channels formed via water-induced self-assembly	0
Tangled piecewise-linear embeddings of trivalent graphs	0
Loose polymorphs of DL-menthol and their compression	0
MacCHESS: MX and BioSAXS capabilities	0
Biocrystallography as a means of communication with the general public on the coronavirus and the RNA world	0
Histo-aspartic protease (HAP): a unique pepsin-like aspartic protease with catalytic histidine and aspartate	0
n→π* charge transfer between an iodide anion and a quinoid ring	0
New opportunities for structural biology research at LCLS and SSRL	0
SO(3)-equivariant neural networks from cryo-EM particle picking	0
Uncertainties of recalculated bond lengths, angles and polyhedral volumes as implemented in the Crystal Palace program for parametric crystal structure analysis	0
Validation and archival of MicroED data	0
Determination of chemical composition and thickness of the very thin film in a heteroepitaxial multilayer by a combination of X-ray measurements	0
'Workbenches': means to prepare the future light source research community?	0
Deep learning for improving grain mapping from near-field high-energy diffraction microscopy	0
Implementation strategy of magnetic space group in spglib	0
Molecular replacement: past, present and future	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
CheckMyMetal 2.0: a macromolecular metal-binding validation and modeling tool	0
Structural and mechanistic insights in RiPP biosynthesis by a radical SAM enzyme	0
Beamline-like capabilities for in situ X-ray diffraction work using modern in-house instrumentation	0
Glycan-mediated activation of B cells in chronic lymphocytic leukaemia subsets	0
Revised phase diagram of low-Ti PbZr1−x Ti x O3: strange modulations and diffuse scattering	0
Leveraging quantum-chemical in silico techniques to determine guest binding energies for the crystalline sponge method	0
Characterisation by X-ray diffraction of bidentate and tridentate PCP and PCN NHC core pincer-type Mn(I) complexes	0
Using 4D-STEM to measure the nanoscale structure of materials in two and three dimensions	0
Real structure of magnetron sputtered Pt-based nanocrystalline thin films	0
PyEMAPS: an open source Python package for transmission electron diffraction simulations and crystallographic computing	0
Preservation of high-pressure materials in nanostructured diamond capsules	0
Comparing ATAD2/B bromodomain structure–function differences in the dynamic epigenetic landscape	0
New capabilities of the Structural Science Group beamlines before and after the APS upgrade	0
Structural basis for the assembly of the DNA cleavage-religation core of type IIA topoisomerase	0
Defect characterization of SiC wafers by polarized light microscopy under a condition slightly deviated from crossed Nicols	0
Copper–cyano–thiocyanato anionic frameworks	0
Biomolecular small-angle scattering: data reproducibility, benchmarking predictive methods and best practice reporting	0