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These are the most read articles in the last six months.
ACTA
CRYSTALLOGRAPHICA
CRYSTALLOGRAPHICA
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.
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-helices: simple coiled-coils. The crystal structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi. (1962). Acta Cryst. 15, 865-872.
Complex alloy structures regarded as sphere packings. I. Definitions and basic principles. (1958). Acta Cryst. 11, 184-190.
FOUNDATIONS
ADVANCES
ADVANCES
Experimentally obtained and computer-simulated X-ray non-coplanar 18-beam pinhole topographs for a silicon crystal. (2019). Acta Cryst. A75, 483-488.
The quaternion-based spatial-coordinate and orientation-frame alignment problems. (2020). Acta Cryst. A76, 432-457.
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.
High-speed tensor tomography: iterative reconstruction tensor tomography (IRTT) algorithm. (2019). Acta Cryst. A75, 223-238.
Principles of weakly ordered domains in intermetallics: the cooperative effects of atomic packing and electronics in Fe2Al5. (2019). Acta Cryst. A75, 297-306.
A cloud platform for atomic pair distribution function analysis: PDFitc. (2021). Acta Cryst. A77, 2-6.
Inflation versus projection sets in aperiodic systems: the role of the window in averaging and diffraction. (2020). Acta Cryst. A76, 559-570.
Embedding-theory-based simulations using experimental electron densities for the environment. (2020). Acta Cryst. A76, 571-579.
Characterizing modulated structures with first-principles calculations: a unified superspace scheme of ordering in mullite. (2019). Acta Cryst. A75, 260-272.
pinkIndexer – a universal indexer for pink-beam X-ray and electron diffraction snapshots. (2020). Acta Cryst. A76, 121-131.
Grazing-incidence small-angle X-ray scattering study of correlated lateral density fluctuations in W/Si multilayers. (2019). Acta Cryst. A75, 342-351.
The atomic structure of the Bergman-type icosahedral quasicrystal based on the Ammann–Kramer–Neri tiling. (2020). Acta Cryst. A76, 180-196.
A side-by-side comparison of the solidification dynamics of quasicrystalline and approximant phases in the Al–Co–Ni system. (2019). Acta Cryst. A75, 281-296.
Bayesian machine learning improves single-wavelength anomalous diffraction phasing. (2019). Acta Cryst. A75, 851-860.
STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
CRYSTAL ENGINEERING
MATERIALS
Lab in a DAC – high-pressure crystal chemistry in a diamond-anvil cell. (2019). Acta Cryst. B75, 918-926.
Compositely modulated structures of phosphor materials SrxLi2+xAl2–xO4:Eu2+. (2020). Acta Cryst. B76, 76-84.
Automated electron diffraction tomography – development and applications. (2019). Acta Cryst. B75, 463-474.
Inelastic scattering and solvent scattering reduce dynamical diffraction in biological crystals. (2019). Acta Cryst. B75, 523-531.
Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview. (2020). Acta Cryst. B76, 177-200.
Low-temperature crystal structure of the unconventional spin-triplet superconductor UTe2 from single-crystal neutron diffraction. (2020). Acta Cryst. B76, 137-143.
ChemEnv: a fast and robust coordination environment identification tool. (2020). Acta Cryst. B76, 683-695.
Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of p-nitrobenzoic acid. (2019). Acta Cryst. B75, 845-854.
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media. (2019). Acta Cryst. B75, 361-370.
High-pressure preference for reduced water content in porous zinc aspartate hydrates. (2020). Acta Cryst. B76, 795-801.
STRUCTURAL
CHEMISTRY
CHEMISTRY
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.
Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation. (2020). Acta Cryst. C76, 907-913.
Crystal structure and characterization of magnesium carbonate chloride heptahydrate. (2020). Acta Cryst. C76, 741-745.
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.
The many flavours of halogen bonds – message from experimental electron density and Raman spectroscopy. (2019). Acta Cryst. C75, 1190-1201.
(E)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism. (2020). Acta Cryst. C76, 1001-1004.
Regioselective synthesis and characterization of monovanadium-substituted β-octamolybdate [VMo7O26]5−. (2019). Acta Cryst. C75, 872-876.
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.
Phase transition and structures of the twinned low-temperature phases of (Et4N)[ReS4]. (2020). Acta Cryst. C76, 231-235.
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BIOLOGICAL
CRYSTALLOGRAPHY
CRYSTALLOGRAPHY
Long-wavelength Mesh&Collect native SAD phasing from microcrystals. (2019). Acta Cryst. D75, 192-199.
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.
Combining high throughput and high quality for cryo-electron microscopy data collection. (2020). Acta Cryst. D76, 724-728.
Shake-it-off: a simple ultrasonic cryo-EM specimen-preparation device. (2019). Acta Cryst. D75, 1063-1070.
Processing serial crystallography data with CrystFEL: a step-by-step guide. (2019). Acta Cryst. D75, 219-233.
Fragment-based determination of a proteinase K structure from MicroED data using ARCIMBOLDO_SHREDDER. (2020). Acta Cryst. D76, 703-712.
FragMAX: the fragment-screening platform at the MAX IV Laboratory. (2020). Acta Cryst. D76, 771-777.
Visualizing an unseen enemy; mobilizing structural biology to counter COVID-19. (2020). Acta Cryst. D76, 311-312.
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CRYSTALLOGRAPHIC
COMMUNICATIONS
COMMUNICATIONS
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 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.
Crystal structure of a polymorph of μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato)iron(III)]. (2019). Acta Cryst. E75, 930-933.
Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol. (2020). Acta Cryst. E76, 1325-1330.
Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-2-{[(3-chloro-4-methylphenyl)imino]methyl}-4-methylphenol. (2020). Acta Cryst. E76, 1320-1324.
Syntheses and crystal structures of three [M(acac)2(TMEDA)] complexes (M = Mn, Fe and Zn). (2020). Acta Cryst. E76, 66-71.
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.
Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-4-methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol. (2020). Acta Cryst. E76, 1551-1556.
Synthesis and crystal structure of 1,1′-bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene, and its complexation with CuI. (2020). Acta Cryst. E76, 1582-1586.
Some reflections on symmetry: pitfalls of automation and some illustrative examples. (2019). Acta Cryst. E75, 1812-1819.
STRUCTURAL BIOLOGY
COMMUNICATIONS
COMMUNICATIONS
Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation. (2019). Acta Cryst. F75, 576-585.
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.
Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase. (2020). Acta Cryst. F76, 469-476.
Crystal structure of the Escherichia coli transcription termination factor Rho. (2020). Acta Cryst. F76, 398-405.
High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE. (2020). Acta Cryst. F76, 414-421.
Computer-controlled liquid-nitrogen drizzling device for removing frost from cryopreserved crystals. (2020). Acta Cryst. F76, 616-622.
The structure of the Moco carrier protein from Rippkaea orientalis. (2020). Acta Cryst. F76, 453-463.
Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. (2020). Acta Cryst. F76, 320-325.
Expression, purification and crystal structure determination of a ferredoxin reductase from the actinobacterium Thermobifida fusca. (2020). Acta Cryst. F76, 334-340.
Structure of the substrate-binding domain of Plasmodium falciparum heat-shock protein 70-x. (2020). Acta Cryst. F76, 495-500.
Crystal structure of the Rab-binding domain of Rab11 family-interacting protein 2. (2020). Acta Cryst. F76, 357-363.
The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein. (2020). Acta Cryst. F76, 583-589.
IUCrJ
Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy. (2020). IUCrJ 7, 1048-1058.
Reliable cryo-EM resolution estimation with modified Fourier shell correlation. (2020). IUCrJ 7, 995-1008.
Distortions, deviations and alternative facts: reliability in crystallography. (2021). IUCrJ 8, 4-11.
Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. (2020). IUCrJ 7, 814-824.
The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation. (2020). IUCrJ 7, 835-843.
Deep learning enables the atomic structure determination of the Fanconi Anemia core complex from cryoEM. (2020). IUCrJ 7, 881-892.
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JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
APPLIED
CRYSTALLOGRAPHY
Mercury 4.0: from visualization to analysis, design and prediction. (2020). J. Appl. Cryst. 53, 226-235.
Grazing-incidence X-ray diffraction investigation of the coincidence site lattice of the Ge/Si(001) system. (2020). J. Appl. Cryst. 53, 1212-1216.
Raman Open Database: first interconnected Raman–X-ray diffraction open-access resource for material identification. (2019). J. Appl. Cryst. 52, 618-625.
Rapid screening of in cellulo grown protein crystals via a small-angle X-ray scattering/X-ray powder diffraction synergistic approach. (2020). J. Appl. Cryst. 53, 1169-1180.
BornAgain: software for simulating and fitting grazing-incidence small-angle scattering. (2020). J. Appl. Cryst. 53, 262-276.
MrPIXEL: automated execution of Pixel calculations via the Mercury interface. (2020). J. Appl. Cryst. 53, 1154-1162.
InsteaDMatic: towards cross-platform automated continuous rotation electron diffraction. (2020). J. Appl. Cryst. 53, 1217-1224.
First ptychographic X-ray computed tomography experiment on the NanoMAX beamline. (2020). J. Appl. Cryst. 53, 1444-1451.
Neutron diffraction measurements of weld residual stresses in three-pass slot weld (Alloy 600/82) and assessment of the measurement uncertainty. (2020). J. Appl. Cryst. 53, 1181-1194.
Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features. (2019). J. Appl. Cryst. 52, 918-925.
Teaching periodicity and aperiodicity using 3D-printed tiles and polyhedra. (2020). J. Appl. Cryst. 53, 1583-1592.
Pulse-to-pulse wavefront sensing at free-electron lasers using ptychography. (2020). J. Appl. Cryst. 53, 949-956.
JOURNAL OF
SYNCHROTRON
RADIATION
SYNCHROTRON
RADIATION
The versatile X-ray beamline of the Munich Compact Light Source: design, instrumentation and applications. (2020). J. Synchrotron Rad. 27, 1395-1414.
BioMAX – the first macromolecular crystallography beamline at MAX IV Laboratory. (2020). J. Synchrotron Rad. 27, 1415-1429.
Hard X-ray wavefront correction via refractive phase plates made by additive and subtractive fabrication techniques. (2020). J. Synchrotron Rad. 27, 1121-1130.
Current status and future opportunities for serial crystallography at MAX IV Laboratory. (2020). J. Synchrotron Rad. 27, 1095-1102.
Stable sub-micrometre high-flux probe for soft X-ray ARPES using a monolithic Wolter mirror. (2020). J. Synchrotron Rad. 27, 1103-1107.
Tomographic reconstruction with a generative adversarial network. (2020). J. Synchrotron Rad. 27, 486-493.
The SwissFEL soft X-ray free-electron laser beamline: Athos. (2019). J. Synchrotron Rad. 26, 1073-1084.
A phase-retrieval toolbox for X-ray holography and tomography. (2020). J. Synchrotron Rad. 27, 852-859.
A ray-tracing algorithm for ab initio calculation of thermal load in undulator-based synchrotron beamlines. (2020). J. Synchrotron Rad. 27, 1108-1120.
A cantilevered liquid-nitrogen-cooled silicon mirror for the Advanced Light Source Upgrade. (2020). J. Synchrotron Rad. 27, 1131-1140.
Beamline B21: high-throughput small-angle X-ray scattering at Diamond Light Source. (2020). J. Synchrotron Rad. 27, 1438-1446.
Combining Laue diffraction with Bragg coherent diffraction imaging at 34-ID-C. (2020). J. Synchrotron Rad. 27, 1430-1437.
Ambient-pressure endstation of the Versatile Soft X-ray (VerSoX) beamline at Diamond Light Source. (2020). J. Synchrotron Rad. 27, 1153-1166.
Pushing the temporal resolution in absorption and Zernike phase contrast nanotomography: enabling fast in situ experiments. (2020). J. Synchrotron Rad. 27, 1339-1346.
A high-power, high-repetition-rate THz source for pump–probe experiments at Linac Coherent Light Source II. (2020). J. Synchrotron Rad. 27, 890-901.
The Single Particles, Clusters and Biomolecules and Serial Femtosecond Crystallography instrument of the European XFEL: initial installation. (2019). J. Synchrotron Rad. 26, 660-676.
IUCrData
Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II). (2020). IUCrData 5, x201092.
[2,2′-Bis(diphenylphosphanyl)-1,1′-binaphthyl-κ2P,P′]dichloridoplatinum(II) acetonitrile trisolvate. (2020). IUCrData 5, x201048.
Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate. (2019). IUCrData 4, x191529.
Decacarbonyl(μ-ethylidenimino-1κN:2κC)-μ-hydrido-triangulo-triosmium(3 Os–Os). (2019). IUCrData 4, x191386.
The hydrochloride salt of 4-hydroxy-N,N-di-n-propyltryptamine (4-HO-DPT). (2020). IUCrData 5, x201546.
The crystal structure of 2-[(tert-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one. (2019). IUCrData 4, x190478.
μ-Carbonyl-bis(carbonyl{η5-[tricarbonyl(η6-2-methylindenyl)chromium(0)]rhodium(III)})(Rh—Rh). (2019). IUCrData 4, x190573.
(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate. (2019). IUCrData 4, x191478.
