most read articles

These are the most read articles in the last six months.

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ACTA
CRYSTALLOGRAPHICA
The structure of sodium thymonucleate fibres. I. The influence of water content. R. E. Franklin & R. G. Gosling (1953). Acta Cryst. 6, 673-677. 
The structure of sodium thymonucleate fibres. II. The cylindrically symmetrical Patterson function. R. E. Franklin & R. G. Gosling (1953). Acta Cryst. 6, 678-685. 
The unit cell of potassium borohydride, KBH4, at 90° K. P. T. Ford & H. M. Powell (1954). Acta Cryst. 7, 604-605. 
The packing of [alpha]-helices: simple coiled-coils. F. H. C. Crick (1953). Acta Cryst. 6, 689-697. 
The crystal structure of Cs2I8(CsI4). E. E. Havinga, K. H. Boswijk & E. H. Wiebenga (1954). Acta Cryst. 7, 487-490. 
Peter Debye, 1884-1966. P. P. Ewald (1967). Acta Cryst. 22, 947-949. 
Arthur Lindo Patterson, 1902-1966. R. E. Marsh & D. P. Shoemaker (1967). Acta Cryst. 22, 749-750. 
Max von Laue, 1879-1960. P. P. Ewald (1960). Acta Cryst. 13, 513-515. 
The crystal structure of ferrocene. J. D. Dunitz, L. E. Orgel & A. Rich (1956). Acta Cryst. 9, 373-375. 
The structure of graphitic carbons. R. E. Franklin (1951). Acta Cryst. 4, 253-261. 
The crystal structure of zinc acetate dihydrate, Zn(CH3COO)2.2H2O. J. N. van Niekerk, F. R. L. Schoening & J. H. Talbot (1953). Acta Cryst. 6, 720-723. 
The Fourier transform of a coiled-coil. F. H. C. Crick (1953). Acta Cryst. 6, 685-689. 
The compound Sr3Ti2O7 and its structure. S. N. Ruddlesden & P. Popper (1958). Acta Cryst. 11, 54-55. 
Notes and News. IUCr (1960). Acta Cryst. 13, 169-170. 
The crystal structures of WTe2 and high-temperature MoTe2. B. E. Brown (1966). Acta Cryst. 20, 268-274. 
Complex alloy structures regarded as sphere packings. I. Definitions and basic principles. F. C. Frank & J. S. Kasper (1958). Acta Cryst. 11, 184-190. 
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FOUNDATIONS
ADVANCES
Experimentally obtained and computer-simulated X-ray non-coplanar 18-beam pinhole topographs for a silicon crystal. K. Okitsu, Y. Imai & Y. Yoda (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. L. Yang, P. Juhás, M. W. Terban, M. G. Tucker & S. J. L. Billinge (2020). Acta Cryst. A76, 395-409. 
Isotopy classes for 3-periodic net embeddings. S. C. Power, I. A. Baburin & D. M. Proserpio (2020). Acta Cryst. A76, 275-301. 
The quaternion-based spatial-coordinate and orientation-frame alignment problems. A. J. Hanson (2020). Acta Cryst. A76, 432-457. 
Quaternions: what are they, and why do we need to know?. B. K. P. Horn (2020). Acta Cryst. A76, 556-558. 
pinkIndexer – a universal indexer for pink-beam X-ray and electron diffraction snapshots. Y. Gevorkov, A. Barty, W. Brehm, T. A. White, A. Tolstikova, M. O. Wiedorn, A. Meents, R.-R. Grigat, H. N. Chapman & O. Yefanov (2020). Acta Cryst. A76, 121-131. 
Principles of weakly ordered domains in intermetallics: the cooperative effects of atomic packing and electronics in Fe2Al5. A. I. Vinokur, K. P. Hilleke & D. C. Fredrickson (2019). Acta Cryst. A75, 297-306. 
Aspherical scattering factors for SHELXL – model, implementation and application. J. Lübben, C. M. Wandtke, C. B. Hübschle, M. Ruf, G. M. Sheldrick & B. Dittrich (2019). Acta Cryst. A75, 50-62. 
Cluster-mining: an approach for determining core structures of metallic nanoparticles from atomic pair distribution function data. S. Banerjee, C.-H. Liu, K. M. Ø Jensen, P. Juhás, J. D. Lee, M. Tofanelli, C. J. Ackerson, C. B. Murray & S. J. L. Billinge (2020). Acta Cryst. A76, 24-31. 
A side-by-side comparison of the solidification dynamics of quasicrystalline and approximant phases in the Al–Co–Ni system. I. Han, X. Xiao, H. Sun & A. J. Shahani (2019). Acta Cryst. A75, 281-296. 
Characterizing modulated structures with first-principles calculations: a unified superspace scheme of ordering in mullite. P. B. Klar, I. Etxebarria & G. Madariaga (2019). Acta Cryst. A75, 260-272. 
Reducing dynamical electron scattering reveals hydrogen atoms. M. T. B. Clabbers, T. Gruene, E. van Genderen & J. P. Abrahams (2019). Acta Cryst. A75, 82-93. 
XGANDALF – extended gradient descent algorithm for lattice finding. Y. Gevorkov, O. Yefanov, A. Barty, T. A. White, V. Mariani, W. Brehm, A. Tolstikova, R.-R. Grigat & H. N. Chapman (2019). Acta Cryst. A75, 694-704. 
SPIND-TC: an indexing method for two-color X-ray diffraction data. X. Li, C. Li & H. Liu (2020). Acta Cryst. A76, 369-375. 
Multiple Bragg reflection by a thick mosaic crystal. II. Simplified transport equation solved on a grid. F. Bornemann, Y. Y. Li & J. Wuttke (2020). Acta Cryst. A76, 376-389. 
Isotopy classification of three-dimensional embedded nets. E. Schulte (2020). Acta Cryst. A76, 273-274. 
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STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
Compositely modulated structures of phosphor materials SrxLi2+xAl2–xO4:Eu2+. A. Ooishi, Y. Michiue, S. Funahashi, T. Takeda & N. Hirosaki (2020). Acta Cryst. B76, 76-84. 
Lab in a DAC – high-pressure crystal chemistry in a diamond-anvil cell. A. Katrusiak (2019). Acta Cryst. B75, 918-926. 
Understanding geology through crystal engineering: coordination complexes, coordination polymers and metal–organic frameworks as minerals. I. Huskić & T. Friščić (2018). Acta Cryst. B74, 539-559. 
Automated electron diffraction tomography – development and applications. U. Kolb, Y. Krysiak & S. Plana-Ruiz (2019). Acta Cryst. B75, 463-474. 
Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview. M. Nentwich, M. Zschornak, M. Sonntag, R. Gumeniuk, S. Gemming, T. Leisegang & D. C. Meyer (2020). Acta Cryst. B76, 177-200. 
The influence of deuteration on the crystal structure of hybrid halide perovskites: a temperature-dependent neutron diffraction study of FAPbBr3. A. Franz, D. M. Többens, F. Lehmann, M. Kärgell & S. Schorr (2020). Acta Cryst. B76, 267-274. 
A proposal for coherent nomenclature of multicomponent crystals. M. Gryl, M. Kozieł & K. M. Stadnicka (2019). Acta Cryst. B75, 53-58. 
Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study. P. Herich, L. Bučinský, M. Breza, M. Gall, M. Fronc, V. Petřiček & J. Kožíšek (2018). Acta Cryst. B74, 681-692. 
The modulated low-temperature structure of malayaite, CaSnOSiO4. T. Malcherek, B. Paulenz, M. Fischer & C. Paulmann (2020). Acta Cryst. B76, 316-321. 
Low-temperature crystal structure of the unconventional spin-triplet superconductor UTe2 from single-crystal neutron diffraction. V. Hutanu, H. Deng, S. Ran, W. T. Fuhrman, H. Thoma & N. P. Butch (2020). Acta Cryst. B76, 137-143. 
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry. T. Kader, B. Stöger, J. Fröhlich & P. Kautny (2019). Acta Cryst. B75, 97-106. 
Inelastic scattering and solvent scattering reduce dynamical diffraction in biological crystals. T. Latychevskaia & J. P. Abrahams (2019). Acta Cryst. B75, 523-531. 
The mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate from di­methyl sulfoxide solvate to form D. Z. Zheng, B. Hou, X. Cheng, W. Liu, X. Huang, Y. Bao, T. Wang, Z. Wang & H. Hao (2020). Acta Cryst. B76, 343-352. 
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media. A. Arakcheeva, V. Svitlyk, E. Polini, L. Henry, D. Chernyshov, A. Sienkiewicz, G. Giriat, A. Glushkova, M. Kollar, B. Náfrádi, L. Forro & E. Horváth (2019). Acta Cryst. B75, 361-370. 
Joel Bernstein (1941–2019). E. Keinan & M. Kaftory (2019). Acta Cryst. B75, 113-114. 
Towards a quantitative bond valence description of coordination spheres – the concepts of valence entropy and valence diversity coordination numbers. P. A. Guńka & J. Zachara (2019). Acta Cryst. B75, 86-96. 
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STRUCTURAL
CHEMISTRY
The solid-state structure of the β-blocker metoprolol: a combined experimental and in silico investigation. P. Rossi, P. Paoli, L. Chelazzi, L. Conti & A. Bencini (2019). Acta Cryst. C75, 87-96. 
Crystallization of metastable monoclinic carnallite, KCl·MgCl2·6H2O: missing structural link in the carnallite family. M. Pannach, I. Paschke, H. Schmidt, D. Freyer & W. Voigt (2020). Acta Cryst. C76, 507-512. 
Synthesis, crystal structures, anti­proliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil. X.-J. Tan, D. Wang, X.-M. Hei, F.-C. Yang, Y.-L. Zhu, D.-X. Xing & J.-P. Ma (2020). Acta Cryst. C76, 44-63. 
A survey of inter­actions in crystal structures of pyrazine-based compounds. F. Taghipour & M. Mirzaei (2019). Acta Cryst. C75, 231-247. 
Can we trust the experiment? Anisotropic dis­placement parameters in 1-(halometh­yl)-3-nitro­benzene (halogen = Cl or Br). D. Mroz, R. Wang, U. Englert & R. Dronskowski (2020). Acta Cryst. C76, 591-597. 
Synthesis, decom­position studies and crystal structure of a three-dimensional CuCN network structure with protonated N-methyl­ethano­lamine as the guest cation. C. Koenigsmann, L. N. Rachid, C. M. Sheedy & P. W. R. Corfield (2020). Acta Cryst. C76, 405-411. 
LaTe1.82(1): modulated crystal structure and chemical bonding of a chalcogen-deficient rare earth metal polytelluride. H. Poddig, K. Finzel & T. Doert (2020). Acta Cryst. C76, 530-540. 
A new hydrate of magnesium carbonate, MgCO3·6H2O. C. Rincke, H. Schmidt & W. Voigt (2020). Acta Cryst. C76, 244-249. 
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. D. Becerra, J. Castillo, B. Insuasty, J. Cobo & C. Glidewell (2020). Acta Cryst. C76, 433-445. 
Polymorphism of the dinuclear CoIII–Schiff base complex [Co2(o-van-en)3]·4CH3CN (o-van-en is a salen-type ligand). A. Vráblová, J. Černák, L. R. Falvello & M. Tomás (2019). Acta Cryst. C75, 433-442. 
Phase transition and structures of the twinned low-temperature phases of (Et4N)[ReS4]. E. Bernhardt & R. Herbst-Irmer (2020). Acta Cryst. C76, 231-235. 
7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization. D. Kondhare, S. Budow-Busse, C. Daniliuc & F. Seela (2020). Acta Cryst. C76, 513-523. 
HBr or not HBr? That is the question: crystal structure of 6-hy­droxy-1,4-diazepane-1,4-diium dibromide redetermined. M. Piontek, B. Morgenstern, N. Steinbrück, B. Oberhausen, G. Kickelbick & K. Hegetschweiler (2019). Acta Cryst. C75, 678-685. 
Sodium sulfite hepta­hydrate and its relation to sodium carbonate hepta­hydrate. M. Weil & K. Mereiter (2020). Acta Cryst. C76, 427-432. 
Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetra­fluoro-1,4-di­iodo­benzene. A. D. Bond & C. L. Truscott (2020). Acta Cryst. C76, 524-529. 
Inter­molecular inter­actions and disorder in six isostructural cele­coxib solvates. A. D. Bond & C. C. Sun (2020). Acta Cryst. C76, 632-638. 
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BIOLOGICAL
CRYSTALLOGRAPHY
Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix. D. Liebschner, P. V. Afonine, M. L. Baker, G. Bunkóczi, V. B. Chen, T. I. Croll, B. Hintze, L.-W. Hung, S. Jain, A. J. McCoy, N. W. Moriarty, R. D. Oeffner, B. K. Poon, M. G. Prisant, R. J. Read, J. S. Richardson, D. C. Richardson, M. D. Sammito, O. V. Sobolev, D. H. Stockwell, T. C. Terwilliger, A. G. Urzhumtsev, L. L. Videau, C. J. Williams & P. D. Adams (2019). Acta Cryst. D75, 861-877. 
Macromolecular X-ray crystallography: soon to be a road less travelled?. J. H. Beale (2020). Acta Cryst. D76, 400-405. 
Long-wavelength Mesh&Collect native SAD phasing from microcrystals. M. Cianci, M. Nanao & T. R. Schneider (2019). Acta Cryst. D75, 192-199. 
Rosalind Franklin 1920–1958. E. F. Garman (2020). Acta Cryst. D76, 698-701. 
An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity. G. D. Tormet-González, C. Wilson, G. S. de Oliveira, J. C. dos Santos, L. G. de Oliveira & M. V. B. Dias (2020). Acta Cryst. D76, 868-875. 
Industrial cryo-EM facility setup and management. K. Sader, R. Matadeen, P. Castro Hartmann, T. Halsan & C. Schlichten (2020). Acta Cryst. D76, 313-325. 
Methods for merging data sets in electron cryo-microscopy. M. E. Wilkinson, A. Kumar & A. Casañal (2019). Acta Cryst. D75, 782-791. 
Visualizing an unseen enemy; mobilizing structural biology to counter COVID-19. E. N. Baker (2020). Acta Cryst. D76, 311-312. 
Jean-Luc Ferrer (1964–2020): structural biologist, beamline instrumentation innovator and entrepreneur. J. C. Fontecilla-Camps & G. Bricogne (2020). Acta Cryst. D76, 608-611. 
Shake-it-off: a simple ultrasonic cryo-EM specimen-preparation device. J. L. Rubinstein, H. Guo, Z. A. Ripstein, A. Haydaroglu, A. Au, C. M. Yip, J. M. Di Trani, S. Benlekbir & T. Kwok (2019). Acta Cryst. D75, 1063-1070. 
Amyloid structure determination in RELION-3.1. S. H. W. Scheres (2020). Acta Cryst. D76, 94-101. 
Combining high throughput and high quality for cryo-electron microscopy data collection. F. Weis & W. J. H. Hagen (2020). Acta Cryst. D76, 724-728. 
Sample delivery for serial crystallography at free-electron lasers and synchrotrons. M. L. Grünbein & G. Nass Kovacs (2019). Acta Cryst. D75, 178-191. 
The crystal structure of the TonB-dependent transporter YncD reveals a positively charged substrate-binding site. R. Grinter & T. Lithgow (2020). Acta Cryst. D76, 484-495. 
A baculoviral system for the production of human β-glucocerebrosidase enables atomic resolution analysis. R. J. Rowland, L. Wu, F. Liu & G. J. Davies (2020). Acta Cryst. D76, 565-580. 
Two particle-picking procedures for filamentous proteins: SPHIRE-crYOLO filament mode and SPHIRE-STRIPER. T. Wagner, L. Lusnig, S. Pospich, M. Stabrin, F. Schönfeld & S. Raunser (2020). Acta Cryst. D76, 613-620. 
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CRYSTALLOGRAPHIC
COMMUNICATIONS
2-O-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths. F. Geburtig & V. Vill (2020). Acta Cryst. E76, 924-928. 
Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]. M. K. Peters, C. Näther & R. Herges (2019). Acta Cryst. E75, 930-933. 
Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione. I. Rayni, Y. El Bakri, C.-H. Lai, J. Sebhaoui, E. M. Essassi & J. T. Mague (2019). Acta Cryst. E75, 1140-1144. 
The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexa­hydro­spiro­[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] and 6′-(naphthalen-1-yl)-6a′-nitro-6′,6a′,6b′,7′,8′,9′,10′,12a′-octa­hydro-2H-spiro­[ace­naphthyl­ene-1,12′-chromeno[3,4-a]indolizin]-2-one. G. Foize Ahmad, A. Syed Mohammed Mujaheer, M. NizamMohideen, M. Gulam Mohamed & V. Viswanathan (2019). Acta Cryst. E75, 1519-1524. 
Utilizing Hirshfeld surface calculations, non-covalent inter­action (NCI) plots and the calculation of inter­action energies in the analysis of mol­ecular packing. S. L. Tan, M. M. Jotani & E. R. T. Tiekink (2019). Acta Cryst. E75, 308-318. 
checkCIF validation ALERTS: what they mean and how to respond. A. L. Spek (2020). Acta Cryst. E76, 1-11. 
Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-N-[(Z)-4-propoxybenzyl­idene]-1,3-thia­zol-2-amine. R. A. Sheakh Mohamad, W. M. Hamad & H. J. Aziz (2020). Acta Cryst. E76, 920-923. 
Obtaining the best results: aspects of data collection, model finalization and inter­pretation of results in small-mol­ecule crystal-structure determination. A. Linden (2020). Acta Cryst. E76, 765-775. 
Syntheses, crystal structures, and comparisons of rare-earth oxyapatites Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, or Yb) and NaLa9(SiO4)6O2. J. V. Crum, S. Chong, J. A. Peterson & B. J. Riley (2019). Acta Cryst. E75, 1020-1025. 
Crystal structures of two charge–transfer com­plexes of benzo[1,2-c:3,4-c′:5,6-c′′]tri­thio­phene (D3h-BTT). Q. Qin, J. T. Mague, H. E. Gould, S. E. Vasquez & A. E. Heyer (2019). Acta Cryst. E75, 1573-1577. 
Crystal structure and Hirshfeld surface analysis of 4-{[(E)-4-(hept­yloxy)benzyl­idene]amino}-N-(naphthalen-2-yl)-1,3-thia­zol-2-amine. R. A. Sheakh Mohamad, H. J. Aziz & W. M. Hamad (2020). Acta Cryst. E76, 1092-1095. 
Functionalized 3-(5-ar­yloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-substituted-phen­yl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples. H. Kiran Kumar, H. S. Yathirajan, Asma, N. Manju, B. Kalluraya, R. S. Rathore & C. Glidewell (2020). Acta Cryst. E76, 683-691. 
Crystal structure of tetra­kis­[μ-3-carboxy-1-(1,2,4-triazol-4-yl)adamantane-κ2N1:N2]tetra­fluoridodi-μ2-oxido-dioxidodisilver(I)divanadium(V) tetra­hydrate. G. A. Senchyk, A. B. Lysenko, E. B. Rusanov & K. V. Domasevitch (2019). Acta Cryst. E75, 808-811. 
Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-4-methyl-2-{[(4-methyl­phen­yl)imino]­meth­yl}phenol. N. K. Yagci, M. S. H. Faizi, A. S. Aydin, N. Dege, O. E. Dogan, E. Agar & A. Mashrai (2020). Acta Cryst. E76, 1075-1079. 
Some reflections on symmetry: pitfalls of automation and some illustrative examples. W. Clegg (2019). Acta Cryst. E75, 1812-1819. 
Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyl­oxybenzyl­idene)benzo[d]thia­zol-2-amine. R. A. Sheakh Mohamad, W. M. Hamad, H. J. Aziz & N. Dege (2020). Acta Cryst. E76, 1591-1594. 
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STRUCTURAL BIOLOGY
COMMUNICATIONS
Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation. K. S. Paithankar, M. Enderle, D. C. Wirthensohn, A. Miller, M. Schlesner, F. Pfeiffer, A. Rittner, M. Grininger & D. Oesterhelt (2019). Acta Cryst. F75, 576-585. 
Room-temperature neutron and X-ray data collection of 3CL Mpro from SARS-CoV-2. D. W. Kneller, G. Phillips, A. Kovalevsky & L. Coates (2020). Acta Cryst. F76, 483-487. 
Visualizing an unseen enemy; mobilizing structural biology to counter COVID-19. E. N. Baker (2020). Acta Cryst. F76, 158-159. 
AtNPR4 from Arabidopsis thaliana: expression, purification, crystallization and crystallographic analysis. Q. Yang, M. Zhang, J. Zheng & Z. Jia (2019). Acta Cryst. F75, 67-72. 
Enhanced X-ray diffraction of in vivo-grown μNS crystals by viscous jets at XFELs. N. Nagaratnam, Y. Tang, S. Botha, J. Saul, C. Li, H. Hu, S. Zaare, M. Hunter, D. Lowry, U. Weierstall, N. Zatsepin, J. C. H. Spence, J. Qiu, J. LaBaer, P. Fromme & J. M. Martin-Garcia (2020). Acta Cryst. F76, 278-289. 
Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. A. Schiefner, R. Walser, M. Gebauer & A. Skerra (2020). Acta Cryst. F76, 320-325. 
Innovation versus practice in biological crystallization. J. Newman & M. J. van Raaij (2020). Acta Cryst. F76, 290-291. 
A new soaking procedure for X-ray crystallographic structural determination of protein–peptide complexes. A. Ballone, R. A. Lau, F. P. A. Zweipfenning & C. Ottmann (2020). Acta Cryst. F76, 501-507. 
Structural studies of a glycoside hydrolase family 3 β-glucosidase from the model fungus Neurospora crassa. S. Karkehabadi, H. Hansson, N. E. Mikkelsen, S. Kim, T. Kaper, M. Sandgren & M. Gudmundsson (2018). Acta Cryst. F74, 787-796. 
Crystal structures of the GH18 domain of the bifunctional peroxiredoxin–chitinase CotE from Clostridium difficile. J. L. Whittingham, S. Hanai, J. A. Brannigan, W. T. Ferreira, E. J. Dodson, J. P. Turkenburg, J. Cartwright, S. M. Cutting & A. J. Wilkinson (2020). Acta Cryst. F76, 241-249. 
Pseudomonas aeruginosa esterase PA2949, a bacterial homolog of the human membrane esterase ABHD6: expression, purification and crystallization. F. Bleffert, J. Granzin, H. Gohlke, R. Batra-Safferling, K.-E. Jaeger & F. Kovacic (2019). Acta Cryst. F75, 270-277. 
Contamination or serendipity – doing the wrong thing by chance. J. Newman & M. J. van Raaij (2020). Acta Cryst. F76, 391. 
Crystallization of the human tetraspanin protein CD9. R. Umeda, T. Nishizawa & O. Nureki (2019). Acta Cryst. F75, 254-259. 
The crystal structure of haemoglobin from Atlantic cod. R. Helland, E. K. Bjørkeng, U. Rothweiler, M. O. Sydnes & D. M. Pampanin (2019). Acta Cryst. F75, 537-542. 
Structure of the Mycobacterium smegmatis α-maltose-1-phosphate synthase GlgM. K. Syson, C. E. M. Stevenson, D. M. Lawson & S. Bornemann (2020). Acta Cryst. F76, 175-181. 
Iterative screen optimization maximizes the efficiency of macromolecular crystallization. H. G. Jones, D. Wrapp, M. S. A. Gilman, M. B. Battles, N. Wang, S. Sacerdote, G.-Y. Chuang, P. D. Kwong & J. S. McLellan (2019). Acta Cryst. F75, 123-131. 
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IUCrJ
1.8 Å resolution structure of β-galactosidase with a 200 kV CRYO ARM electron microscope. A. Merk, T. Fukumura, X. Zhu, J. E. Darling, R. Grisshammer, J. Ognjenovic & S. Subramaniam (2020). IUCrJ 7, 639-643. 
COVID-19 and cryo-EM. S. Subramaniam (2020). IUCrJ 7, 575-576. 
Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals. A. M. Wolff, I. D. Young, R. G. Sierra, A. S. Brewster, M. W. Martynowycz, E. Nango, M. Sugahara, T. Nakane, K. Ito, A. Aquila, A. Bhowmick, J. T. Biel, S. Carbajo, A. E. Cohen, S. Cortez, A. Gonzalez, T. Hino, D. Im, J. D. Koralek, M. Kubo, T. S. Lazarou, T. Nomura, S. Owada, A. J. Samelson, T. Tanaka, R. Tanaka, E. M. Thompson, H. van den Bedem, R. A. Woldeyes, F. Yumoto, W. Zhao, K. Tono, S. Boutet, S. Iwata, T. Gonen, N. K. Sauter, J. S. Fraser & M. C. Thompson (2020). IUCrJ 7, 306-323. 
Estimation of high-order aberrations and anisotropic magnification from cryo-EM data sets in RELION-3.1. J. Zivanov, T. Nakane & S. H. W. Scheres (2020). IUCrJ 7, 253-267. 
Assessing the JEOL CRYO ARM 300 for high-throughput automated single-particle cryo-EM in a multiuser environment. M. Fislage, A. V. Shkumatov, A. Stroobants & R. G. Efremov (2020). IUCrJ 7, 707-718. 
Protein–lipid architecture of a cholinergic postsynaptic membrane. N. Unwin (2020). IUCrJ 7, 852-859. 
Reliable cryo-EM resolution estimation with modified Fourier shell correlation. P. A. Penczek (2020). IUCrJ 7, https://doi.org/10.1107/S2052252520011574. 
A Bayesian approach to beam-induced motion correction in cryo-EM single-particle analysis. J. Zivanov, T. Nakane & S. H. W. Scheres (2019). IUCrJ 6, 5-17. 
Extraordinary anisotropic thermal expansion in photosalient crystals. K. Yadava, G. Gallo, S. Bette, C. E. Mulijanto, D. P. Karothu, I.-H. Park, R. Medishetty, P. Naumov, R. E. Dinnebier & J. J. Vittal (2020). IUCrJ 7, 83-89. 
Visualizing an unseen enemy; mobilizing structural biology to counter COVID-19. E. N. Baker (2020). IUCrJ 7, 366-367. 
CryoEM at 100 keV: a demonstration and prospects. K. Naydenova, G. McMullan, M. J. Peet, Y. Lee, P. C. Edwards, S. Chen, E. Leahy, S. Scotcher, R. Henderson & C. J. Russo (2019). IUCrJ 6, 1086-1098. 
3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow. D. C. F. Monteiro, D. von Stetten, C. Stohrer, M. Sans, A. R. Pearson, G. Santoni, P. van der Linden & M. Trebbin (2020). IUCrJ 7, 207-219. 
Gold Standard for macromolecular crystallography diffraction data. H. J. Bernstein, A. Förster, A. Bhowmick, A. S. Brewster, S. Brockhauser, L. Gelisio, D. R. Hall, F. Leonarski, V. Mariani, G. Santoni, C. Vonrhein & G. Winter (2020). IUCrJ 7, 784-792. 
The resolution revolution in cryoEM requires high-quality sample preparation: a rapid pipeline to a high-resolution map of yeast fatty acid synthase. M. Joppe, E. D'Imprima, N. Salustros, K. S. Paithankar, J. Vonck, M. Grininger & W. Kühlbrandt (2020). IUCrJ 7, 220-227. 
Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids. O. C. Gagné & F. C. Hawthorne (2020). IUCrJ 7, 581-629. 
Polymorph evolution during crystal growth studied by 3D electron diffraction. E. T. Broadhurst, H. Xu, M. T. B. Clabbers, M. Lightowler, F. Nudelman, X. Zou & S. Parsons (2020). IUCrJ 7, 5-9. 
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JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
Mercury 4.0: from visualization to analysis, design and prediction. C. F. Macrae, I. Sovago, S. J. Cottrell, P. T. A. Galek, P. McCabe, E. Pidcock, M. Platings, G. P. Shields, J. S. Stevens, M. Towler & P. A. Wood (2020). J. Appl. Cryst. 53, 226-235. 
Raman Open Database: first interconnected Raman–X-ray diffraction open-access resource for material identification. Y. El Mendili, A. Vaitkus, A. Merkys, S. Gražulis, D. Chateigner, F. Mathevet, S. Gascoin, S. Petit, J.-F. Bardeau, M. Zanatta, M. Secchi, G. Mariotto, A. Kumar, M. Cassetta, L. Lutterotti, E. Borovin, B. Orberger, P. Simon, B. Hehlen & M. Le Guen (2019). J. Appl. Cryst. 52, 618-625. 
py_convrot: rotation conventions, to understand and to apply. L. Urzhumtseva & A. Urzhumtsev (2019). J. Appl. Cryst. 52, 869-881. 
Exact and fast calculation of the X-ray pair distribution function. R. B. Neder & Th. Proffen (2020). J. Appl. Cryst. 53, 710-721. 
BornAgain: software for simulating and fitting grazing-incidence small-angle scattering. G. Pospelov, W. Van Herck, J. Burle, J. M. Carmona Loaiza, C. Durniak, J. M. Fisher, M. Ganeva, D. Yurov & J. Wuttke (2020). J. Appl. Cryst. 53, 262-276. 
Visualization of texture components using MTEX. G. Rafailov, E. N. Caspi, R. Hielscher, E. Tiferet, R. Schneck & S. C. Vogel (2020). J. Appl. Cryst. 53, 540-548. 
Small-angle scattering model for efficient characterization of wood nanostructure and moisture behaviour. P. A. Penttilä, L. Rautkari, M. Österberg & R. Schweins (2019). J. Appl. Cryst. 52, 369-377. 
High-performance Python for crystallographic computing. A. Boulle & J. Kieffer (2019). J. Appl. Cryst. 52, 882-897. 
A novel experimental approach for nanostructure analysis: simultaneous small-angle X-ray and neutron scattering. E. Metwalli, K. Götz, S. Lages, C. Bär, T. Zech, D. M. Noll, I. Schuldes, T. Schindler, A. Prihoda, H. Lang, J. Grasser, M. Jacques, L. Didier, A. Cyril, A. Martel, L. Porcar & T. Unruh (2020). J. Appl. Cryst. 53, 722-733. 
3D-printed holders for in meso in situ fixed-target serial X-ray crystallography. C.-Y. Huang, N. Meier, M. Caffrey, M. Wang & V. Olieric (2020). J. Appl. Cryst. 53, 854-859. 
Full-profile search–match by the Rietveld method. L. Lutterotti, H. Pillière, C. Fontugne, P. Boullay & D. Chateigner (2019). J. Appl. Cryst. 52, 587-598. 
Protein crystal structure determination with the crystallophore, a nucleating and phasing agent. S. Engilberge, T. Wagner, G. Santoni, C. Breyton, S. Shima, B. Franzetti, F. Riobé, O. Maury & E. Girard (2019). J. Appl. Cryst. 52, 722-731. 
Near, far, wherever you are: simulations on the dose efficiency of holographic and ptychographic coherent imaging. M. Du, D. Gürsoy & C. Jacobsen (2020). J. Appl. Cryst. 53, 748-759. 
An introduction to classical molecular dynamics simulation for experimental scattering users. A. R. McCluskey, J. Grant, A. R. Symington, T. Snow, J. Doutch, B. J. Morgan, S. C. Parker & K. J. Edler (2019). J. Appl. Cryst. 52, 665-668. 
X-ray diffraction using focused-ion-beam-prepared single crystals. T. Weigel, C. Funke, M. Zschornak, T. Behm, H. Stöcker, T. Leisegang & D. C. Meyer (2020). J. Appl. Cryst. 53, 614-622. 
High-throughput continuous rotation electron diffraction data acquisition via software automation. M. O. Cichocka, J. Ångström, B. Wang, X. Zou & S. Smeets (2018). J. Appl. Cryst. 51, 1652-1661. 
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JOURNAL OF
SYNCHROTRON
RADIATION
Tomographic reconstruction with a generative adversarial network. X. Yang, M. Kahnt, D. Brückner, A. Schropp, Y. Fam, J. Becher, J.-D. Grunwaldt, T. L. Sheppard & C. G. Schroer (2020). J. Synchrotron Rad. 27, 486-493. 
A phase-retrieval toolbox for X-ray holography and tomography. L. M. Lohse, A.-L. Robisch, M. Töpperwien, S. Maretzke, M. Krenkel, J. Hagemann & T. Salditt (2020). J. Synchrotron Rad. 27, 852-859. 
The versatile X-ray beamline of the Munich Compact Light Source: design, instrumentation and applications. B. Günther, R. Gradl, C. Jud, E. Eggl, J. Huang, S. Kulpe, K. Achterhold, B. Gleich, M. Dierolf & F. Pfeiffer (2020). J. Synchrotron Rad. 27, 1395-1414. 
A kinetic and mechanistic study into the transformation of calcium sulfate hemihydrate to dihydrate. S. J. Gurgul, G. Seng & G. R. Williams (2019). J. Synchrotron Rad. 26, 774-784. 
Experimental station Bernina at SwissFEL: condensed matter physics on femtosecond time scales investigated by X-ray diffraction and spectroscopic methods. G. Ingold, R. Abela, C. Arrell, P. Beaud, P. Böhler, M. Cammarata, Y. Deng, C. Erny, V. Esposito, U. Flechsig, R. Follath, C. Hauri, S. Johnson, P. Juranic, G. F. Mancini, R. Mankowsky, A. Mozzanica, R. A. Oggenfuss, B. D. Patterson, L. Patthey, B. Pedrini, J. Rittmann, L. Sala, M. Savoini, C. Svetina, T. Zamofing, S. Zerdane & H. T. Lemke (2019). J. Synchrotron Rad. 26, 874-886. 
Synchrotron X-ray diffraction investigation of the surface condition of artefacts from King Henry VIII's warship the Mary Rose. M. G. Dowsett, P.-J. Sabbe, J. Alves Anjos, E. J. Schofield, D. Walker, P. Thomas, S. York, S. Brown, D. Wermeille & M. Adriaens (2020). J. Synchrotron Rad. 27, 653-663. 
The Nanodiffraction beamline ID01/ESRF: a microscope for imaging strain and structure. S. J. Leake, G. A. Chahine, H. Djazouli, T. Zhou, C. Richter, J. Hilhorst, L. Petit, M.-I. Richard, C. Morawe, R. Barrett, L. Zhang, R. A. Homs-Regojo, V. Favre-Nicolin, P. Boesecke & T. U. Schülli (2019). J. Synchrotron Rad. 26, 571-584. 
ID30A-3 (MASSIF-3) – a beamline for macromolecular crystallography at the ESRF with a small intense beam. D. von Stetten, P. Carpentier, D. Flot, A. Beteva, H. Caserotto, F. Dobias, M. Guijarro, T. Giraud, M. Lentini, S. McSweeney, A. Royant, S. Petitdemange, J. Sinoir, J. Surr, O. Svensson, P. Theveneau, G. A. Leonard & C. Mueller-Dieckmann (2020). J. Synchrotron Rad. 27, 844-851. 
Multiple-beamline operation of SACLA. K. Tono, T. Hara, M. Yabashi & H. Tanaka (2019). J. Synchrotron Rad. 26, 595-602. 
Stable sub-micrometre high-flux probe for soft X-ray ARPES using a monolithic Wolter mirror. Y. Senba, H. Kishimoto, Y. Takeo, H. Yumoto, T. Koyama, H. Mimura & H. Ohashi (2020). J. Synchrotron Rad. 27, 1103-1107. 
The Macromolecular Femtosecond Crystallography Instrument at the Linac Coherent Light Source. R. G. Sierra, A. Batyuk, Z. Sun, A. Aquila, M. S. Hunter, T. J. Lane, M. Liang, C. H. Yoon, R. Alonso-Mori, R. Armenta, J.-C. Castagna, M. Hollenbeck, T. O. Osier, M. Hayes, J. Aldrich, R. Curtis, J. E. Koglin, T. Rendahl, E. Rodriguez, S. Carbajo, S. Guillet, R. Paul, P. Hart, K. Nakahara, G. Carini, H. DeMirci, E. H. Dao, B. M. Hayes, Y. P. Rao, M. Chollet, Y. Feng, F. D. Fuller, C. Kupitz, T. Sato, M. H. Seaberg, S. Song, T. B. van Driel, H. Yavas, D. Zhu, A. E. Cohen, S. Wakatsuki & S. Boutet (2019). J. Synchrotron Rad. 26, 346-357. 
Generation of an X-ray nanobeam of a free-electron laser using reflective optics with speckle interferometry. T. Inoue, S. Matsuyama, J. Yamada, N. Nakamura, T. Osaka, I. Inoue, Y. Inubushi, K. Tono, H. Yumoto, T. Koyama, H. Ohashi, M. Yabashi, T. Ishikawa & K. Yamauchi (2020). J. Synchrotron Rad. 27, 883-889. 
Synchrotron multimodal imaging in a whole cell reveals lipid droplet core organization. F. Jamme, B. Cinquin, Y. Gohon, E. Pereiro, M. Réfrégiers & M. Froissard (2020). J. Synchrotron Rad. 27, 772-778. 
The SwissFEL soft X-ray free-electron laser beamline: Athos. R. Abela, A. Alarcon, J. Alex, C. Arrell, V. Arsov, S. Bettoni, M. Bopp, C. Bostedt, H.-H. Braun, M. Calvi, T. Celcer, P. Craievich, A. Dax, P. Dijkstal, S. Dordevic, E. Ferrari, U. Flechsig, R. Follath, F. Frei, N. Gaiffi, Z. Geng, C. Gough, N. Hiller, S. Hunziker, M. Huppert, R. Ischebeck, H. Jöhri, P. Juranic, R. Kalt, M. Kaiser, B. Keil, C. Kittel, R. Künzi, T. Lippuner, F. Löhl, F. Marcellini, G. Marinkovic, C. Ozkan Loch, G. L. Orlandi, B. Patterson, C. Pradervand, M. Paraliev, M. Pedrozzi, E. Prat, P. Ranitovic, S. Reiche, C. Rosenberg, S. Sanfilippo, T. Schietinger, T. Schmidt, K. Schnorr, C. Svetina, A. Trisorio, C. Vicario, D. Voulot, U. Wagner, H. J. Wörner, A. Zandonella, L. Patthey & R. Ganter (2019). J. Synchrotron Rad. 26, 1073-1084. 
A passive hutch-cooling system for achieving high thermal-stability operation at the Nanoprobe beamline, Diamond Light Source. F. Cacho-Nerin, J. E. Parker & P. D. Quinn (2020). J. Synchrotron Rad. 27, 912-922. 
Current status and future opportunities for serial crystallography at MAX IV Laboratory. A. Shilova, H. Lebrette, O. Aurelius, J. Nan, M. Welin, R. Kovacic, S. Ghosh, C. Safari, R. J. Friel, M. Milas, Z. Matej, M. Högbom, G. Brändén, M. Kloos, R. L. Shoeman, B. Doak, T. Ursby, M. Håkansson, D. T. Logan & U. Mueller (2020). J. Synchrotron Rad. 27, 1095-1102. 
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IUCrData
1,4-Bis(2-nitro­benz­yl)piperazine. H. I. Crundwell, R. I. Grimmett, G. Crundwell & B. L. Westcott (2019). IUCrData 4, x191468. 
5-MeO-DALT: the freebase of N,N-diallyl-5-meth­oxy­tryptamine. A. R. Chadeayne, D. N. K. Pham, J. A. Golen & D. R. Manke (2020). IUCrData 5, x200498. 
Poly[(μ4-phenyl­phospho­nato)zinc(II)]. L. Falvello, P. Lotti, C. Massera, S. C. Tarantino, M. Zema, H. Puschmann, M. Y. Agbahoungbata, J. Andreo, S. A. Sahadevan, A. Bismuto, G. Bonfant, S. A. S. Bonou, C. Carraro, M. D. Zotti, A. di Biase, R. Fantini, I. Ferraboschi, J. M. F. Custodio, M. Frigerio, G. Gallo, S. Gjyli, M. Goudjil, F. Igoa, E. Kahveci, M. Kalienko, S. Lorenzon, L. Macera, J. J. M. Fajardo, E. Nushi, S. Ouaatta, E. Parisi, L. Pasqualetto, E. Pesko, G. Pierri, R. Pinalli, R. Poppe, A. Santoro, E. Smirnova, S. Sorbara, L. Tensi & G. Tusha (2019). IUCrData 4, x191222. 
3,5-Di­chloro-3′,4′-di­meth­oxy­biphen­yl. R. Dhakal, S. Parkin & H.-J. Lehmler (2019). IUCrData 4, x190518. 
2,3-Di­chloro-3′,4′-di­hydroxy­biphen­yl. R. Dhakal, S. Parkin & H.-J. Lehmler (2019). IUCrData 4, x190662. 
Redetermination of di­ammonium trivanadate, (NH4)2V3O8. A. Pérez-Benítez & S. Bernès (2020). IUCrData 5, x200488. 
D-Glutamic acid hydro­chloride. L. Y. Fox-Uribe, J. Hernández-Paredes, Y. Soberanes, I. Valenzuela-Chavira, K. D. Garcia-Orozco, A. Ochoa-Leyva, K. O. Lara, R. E. Navarro & R. R. Sotelo-Mundo (2019). IUCrData 4, x190458. 
Sodium [N,N′-ethyl­enebis(D-penicillaminato)]indate(III) tetra­hydrate. N. Yoshinari & T. Konno (2019). IUCrData 4, x191529. 
Decacarbon­yl(μ-ethyl­idenimino-1κN:2κC)-μ-hydrido-triangulo-triosmium(3 Os–Os). C. B. Powell, G. L. Powell, A. K. Archambeau & K. M. Wilson (2019). IUCrData 4, x191386. 
Ca2CuO2Cl2, a redetermination from single-crystal X-ray diffraction data. B. Baptiste, M. Azuma, R. Yu, P. Giura & M. d'Astuto (2018). IUCrData 3, x181645. 
Crystal structure of the Al8Cr5-type inter­metallic Al7.85Cr5.16. X. Geng, B. Wen & C. Fan (2020). IUCrData 5, x200422. 
1,2,4,5-Tetra­chloro-3,6-di­iodo­benzene benzene monosolvate. E. Bosch (2019). IUCrData 4, x190993. 
μ-Carbonyl-bis­(carbon­yl{η5-[tri­carbon­yl(η6-2-meth­yl­inden­yl)­chromium(0)]rhodium(III)})(Rh—Rh). C. Werlé, C. Bailly, L. Karmazin & J.-P. Djukic (2019). IUCrData 4, x190573. 
The crystal structure of 2-[(tert-butyl­diphenyl­sil­yl)­oxy]-1,2-di­phenyl­ethan-1-one. M. J. Di Grandi, B. Taylor & P. W. R. Corfield (2019). IUCrData 4, x190478. 
1,3-Bis{[(2,6-di­methyl­phen­yl)sulfan­yl]meth­yl}benzene. B. Garita-Salazar & L. W. Pineda (2019). IUCrData 4, x190677. 
Ethyl­ammonium hydrogen oxalate–oxalic acid (2/1). A. Toure, C. A. K. Diop, L. Diop, L. Plasseraud & H. Cattey (2019). IUCrData 4, x190635. 
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