most read articles
These are the most read articles in the last six months.
The structure of sodium thymonucleate fibres. I. The influence of water content. (1953). Acta Cryst. 6, 673-677.
The structure of sodium thymonucleate fibres. II. The cylindrically symmetrical Patterson function. (1953). Acta Cryst. 6, 678-685.
The crystal structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi. (1962). Acta Cryst. 15, 865-872.
The scattering of electrons by atoms and crystals. I. A new theoretical approach. (1957). Acta Cryst. 10, 609-619.
Complex alloy structures regarded as sphere packings. I. Definitions and basic principles. (1958). Acta Cryst. 11, 184-190.
A cloud platform for atomic pair distribution function analysis: PDFitc. (2021). Acta Cryst. A77, 2-6.
Macromolecular phasing using diffraction from multiple crystal forms. (2021). Acta Cryst. A77, 19-35.
The quaternion-based spatial-coordinate and orientation-frame alignment problems. (2020). Acta Cryst. A76, 432-457.
pinkIndexer – a universal indexer for pink-beam X-ray and electron diffraction snapshots. (2020). Acta Cryst. A76, 121-131.
The atomic structure of the Bergman-type icosahedral quasicrystal based on the Ammann–Kramer–Neri tiling. (2020). Acta Cryst. A76, 180-196.
Experimentally obtained and computer-simulated X-ray non-coplanar 18-beam pinhole topographs for a silicon crystal. (2019). Acta Cryst. A75, 483-488.
Structure-mining: screening structure models by automated fitting to the atomic pair distribution function over large numbers of models. (2020). Acta Cryst. A76, 395-409.
X-ray diffraction from strongly bent crystals and spectroscopy of X-ray free-electron laser pulses. (2020). Acta Cryst. A76, 55-69.
Bayesian machine learning improves single-wavelength anomalous diffraction phasing. (2019). Acta Cryst. A75, 851-860.
A flexible and standalone forward simulation model for laboratory X-ray diffraction contrast tomography. (2020). Acta Cryst. A76, 652-663.
XGANDALF – extended gradient descent algorithm for lattice finding. (2019). Acta Cryst. A75, 694-704.
Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview. (2020). Acta Cryst. B76, 177-200.
Lab in a DAC – high-pressure crystal chemistry in a diamond-anvil cell. (2019). Acta Cryst. B75, 918-926.
High-pressure preference for reduced water content in porous zinc aspartate hydrates. (2020). Acta Cryst. B76, 795-801.
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media. (2019). Acta Cryst. B75, 361-370.
Automated electron diffraction tomography – development and applications. (2019). Acta Cryst. B75, 463-474.
Synthesis, crystal structure and structure–property relations of strontium orthocarbonate, Sr2CO4. (2021). Acta Cryst. B77, 131-137.
Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles. (2020). Acta Cryst. B76, 1055-1070.
Inelastic scattering and solvent scattering reduce dynamical diffraction in biological crystals. (2019). Acta Cryst. B75, 523-531.
Cation distribution in Cu2ZnSnSe4, Cu2FeSnS4 and Cu2ZnSiSe4 by multiple-edge anomalous diffraction. (2020). Acta Cryst. B76, 1027-1035.
Study on the structural phase transitions in NaSICON-type compounds using Ag3Sc2(PO4)3 as a model system. (2021). Acta Cryst. B77, 10-22.
C60 in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR. (2020). Acta Cryst. B76, 815-824.
more ...
Crystallization of metastable monoclinic carnallite, KCl·MgCl2·6H2O: missing structural link in the carnallite family. (2020). Acta Cryst. C76, 507-512.
First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study. (2020). Acta Cryst. C76, 1043-1050.
Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products. (2020). Acta Cryst. C76, 433-445.
Crystal structure of a calcium(II)–pyrroloquinoline quinone (PQQ) complex outside a protein environment. (2020). Acta Cryst. C76, 1051-1056.
There's many a good tune played on an old fiddle – a new colour for Alfred Werner's isomer counting. (2020). Acta Cryst. C76, 312-313.
(E)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism. (2020). Acta Cryst. C76, 1001-1004.
Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers. (2019). Acta Cryst. C75, 1266-1273.
The many flavours of halogen bonds – message from experimental electron density and Raman spectroscopy. (2019). Acta Cryst. C75, 1190-1201.
Regioselective synthesis and characterization of monovanadium-substituted β-octamolybdate [VMo7O26]5−. (2019). Acta Cryst. C75, 872-876.
Phase transition and structures of the twinned low-temperature phases of (Et4N)[ReS4]. (2020). Acta Cryst. C76, 231-235.
The decades-old mystery of bis(diethyl ether)tungsten(IV) chloride solved. (2021). Acta Cryst. C77, 167-168.
Crystallographic curiosities: polymorphism and structures with Z′ > 1. (2019). Acta Cryst. C75, 833-834.
Intermolecular interactions and disorder in six isostructural celecoxib solvates. (2020). Acta Cryst. C76, 632-638.
Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix. (2019). Acta Cryst. D75, 861-877.
An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity. (2020). Acta Cryst. D76, 868-875.
Homogeneously N-glycosylated proteins derived from the GlycoDelete HEK293 cell line enable diffraction-quality crystallogenesis. (2020). Acta Cryst. D76, 1244-1255.
Shake-it-off: a simple ultrasonic cryo-EM specimen-preparation device. (2019). Acta Cryst. D75, 1063-1070.
Structure of a GH51 α-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi. (2020). Acta Cryst. D76, 1124-1133.
The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography. (2020). Acta Cryst. D76, 1222-1232.
Development and assessment of CootVR, a virtual reality computer program for model building. (2021). Acta Cryst. D77, 19-27.
Macromolecular crystallography using microcrystal electron diffraction. (2021). Acta Cryst. D77, 313-324.
High-performance macromolecular data delivery and visualization for the web. (2020). Acta Cryst. D76, 1167-1173.
more ...
Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1H-indole-2,3-dione. (2019). Acta Cryst. E75, 1140-1144.
2-O-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths. (2020). Acta Cryst. E76, 924-928.
Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-N-[(Z)-4-propoxybenzylidene]-1,3-thiazol-2-amine. (2020). Acta Cryst. E76, 920-923.
Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyloxybenzylidene)benzo[d]thiazol-2-amine. (2020). Acta Cryst. E76, 1591-1594.
Crystal structures of two dysprosium–aluminium–sodium [3.3.1] metallacryptates that form two-dimensional sheets. (2020). Acta Cryst. E76, 1378-1390.
Crystal structure and Hirshfeld surface analysis of 4-{[(E)-4-(heptyloxy)benzylidene]amino}-N-(naphthalen-2-yl)-1,3-thiazol-2-amine. (2020). Acta Cryst. E76, 1092-1095.
Syntheses and crystal structures of three [M(acac)2(TMEDA)] complexes (M = Mn, Fe and Zn). (2020). Acta Cryst. E76, 66-71.
Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde. (2020). Acta Cryst. E76, 1810-1812.
Psilacetin derivatives: fumarate salts of the methyl–ethyl, methyl–allyl and diallyl variants of the psilocin prodrug. (2021). Acta Cryst. E77, 101-106.
Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand. (2020). Acta Cryst. E76, 1741-1747.
Two acyclic imides: 3-bromo-N-(3-bromobenzoyl)-N-(pyridin-2-yl)benzamide and 3-bromo-N-(3-bromobenzoyl)-N-(pyrimidin-2-yl)benzamide. (2020). Acta Cryst. E76, 1800-1804.
Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation. (2019). Acta Cryst. F75, 576-585.
Computer-controlled liquid-nitrogen drizzling device for removing frost from cryopreserved crystals. (2020). Acta Cryst. F76, 616-622.
Room-temperature neutron and X-ray data collection of 3CL Mpro from SARS-CoV-2. (2020). Acta Cryst. F76, 483-487.
A new soaking procedure for X-ray crystallographic structural determination of protein–peptide complexes. (2020). Acta Cryst. F76, 501-507.
Structural analysis of the chicken FANCM–MHF complex and its stability. (2021). Acta Cryst. F77, 1-7.
A fully automated crystallization apparatus for small protein quantities. (2021). Acta Cryst. F77, 29-36.
The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein. (2020). Acta Cryst. F76, 583-589.
The hypothetical periplasmic protein PA1624 from Pseudomonas aeruginosa folds into a unique two-domain structure. (2020). Acta Cryst. F76, 609-615.
Structural and biochemical characterization of the class II fructose-1,6-bisphosphatase from Francisella tularensis. (2020). Acta Cryst. F76, 524-535.
Crystal structure of human CRM1, covalently modified by 2-mercaptoethanol on Cys528, in complex with RanGTP. (2021). Acta Cryst. F77, 70-78.
Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase. (2020). Acta Cryst. F76, 469-476.
Structure of the substrate-binding domain of Plasmodium falciparum heat-shock protein 70-x. (2020). Acta Cryst. F76, 495-500.
High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP. (2020). Acta Cryst. F76, 94-102.
Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. (2020). Acta Cryst. F76, 320-325.
Distortions, deviations and alternative facts: reliability in crystallography. (2021). IUCrJ 8, 4-11.
Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy. (2020). IUCrJ 7, 1048-1058.
Exploiting prior knowledge about biological macromolecules in cryo-EM structure determination. (2021). IUCrJ 8, 60-75.
Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures. (2020). IUCrJ 7, 1059-1069.
The structure of kaliophilite KAlSiO4, a long-lasting crystallographic problem. (2020). IUCrJ 7, 1070-1083.
Beyond integration: modeling every pixel to obtain better structure factors from stills. (2020). IUCrJ 7, 1151-1167.
Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. (2020). IUCrJ 7, 814-824.
more ...
Grazing-incidence X-ray diffraction investigation of the coincidence site lattice of the Ge/Si(001) system. (2020). J. Appl. Cryst. 53, 1212-1216.
Mercury 4.0: from visualization to analysis, design and prediction. (2020). J. Appl. Cryst. 53, 226-235.
ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis. (2021). J. Appl. Cryst. 54, 343-355.
Raman Open Database: first interconnected Raman–X-ray diffraction open-access resource for material identification. (2019). J. Appl. Cryst. 52, 618-625.
First ptychographic X-ray computed tomography experiment on the NanoMAX beamline. (2020). J. Appl. Cryst. 53, 1444-1451.
Teaching periodicity and aperiodicity using 3D-printed tiles and polyhedra. (2020). J. Appl. Cryst. 53, 1583-1592.
BornAgain: software for simulating and fitting grazing-incidence small-angle scattering. (2020). J. Appl. Cryst. 53, 262-276.
Application of precise neutron focusing mirrors for neutron reflectometry: latest results and future prospects. (2020). J. Appl. Cryst. 53, 1462-1470.
speckle-tracking: a software suite for ptychographic X-ray speckle tracking. (2020). J. Appl. Cryst. 53, 1603-1612.
An operando spatially resolved study of alkaline battery discharge using a novel hyperspectral detector and X-ray tomography. (2020). J. Appl. Cryst. 53, 1434-1443.
Tomographic reconstruction with a generative adversarial network. (2020). J. Synchrotron Rad. 27, 486-493.
Single-pulse phase-contrast imaging at free-electron lasers in the hard X-ray regime. (2021). J. Synchrotron Rad. 28, 52-63.
The versatile X-ray beamline of the Munich Compact Light Source: design, instrumentation and applications. (2020). J. Synchrotron Rad. 27, 1395-1414.
3D virtual histology of human pancreatic tissue by multiscale phase-contrast X-ray tomography. (2020). J. Synchrotron Rad. 27, 1707-1719.
The SwissFEL soft X-ray free-electron laser beamline: Athos. (2019). J. Synchrotron Rad. 26, 1073-1084.
HIPPIE: a new platform for ambient-pressure X-ray photoelectron spectroscopy at the MAX IV Laboratory. (2021). J. Synchrotron Rad. 28, 624-636.
Multi-analyser detector (MAD) for high-resolution and high-energy powder X-ray diffraction. (2021). J. Synchrotron Rad. 28, 146-157.
Correction of the X-ray wavefront from compound refractive lenses using 3D printed refractive structures. (2020). J. Synchrotron Rad. 27, 1518-1527.
ROBL-II at ESRF: a synchrotron toolbox for actinide research. (2021). J. Synchrotron Rad. 28, 333-349.
Characterization of the Percival detector with soft X-rays. (2021). J. Synchrotron Rad. 28, 131-145.
A phase-retrieval toolbox for X-ray holography and tomography. (2020). J. Synchrotron Rad. 27, 852-859.
Fast convolution-based performance estimation method for diffraction-limited source with imperfect X-ray optics. (2020). J. Synchrotron Rad. 27, 1539-1552.
Hard X-ray ptychography for optics characterization using a partially coherent synchrotron source. (2020). J. Synchrotron Rad. 27, 1688-1695.
Wigner distribution of self-amplified spontaneous emission free-electron laser pulses and extracting its autocorrelation. (2021). J. Synchrotron Rad. 28, 3-17.
High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection. (2021). J. Synchrotron Rad. 28, 64-70.
Mjölnir: a miniature triaxial rock deformation apparatus for 4D synchrotron X-ray microtomography. (2020). J. Synchrotron Rad. 27, 1681-1687.
The hydrochloride salt of 4-hydroxy-N,N-di-n-propyltryptamine (4-HO-DPT). (2020). IUCrData 5, x201546.
Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide. (2020). IUCrData 5, x201511.
cis-{1-Butyl-3-[2-(phenylsulfanyl)ethyl]-4-imidazolin-2-yl-κ2C2,S′}dichloridoplatinum(II). (2020). IUCrData 5, x201433.
(E)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide. (2020). IUCrData 5, x201464.
6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one. (2020). IUCrData 5, x201384.
catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)]. (2020). IUCrData 5, x201498.