most read articles

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

ACTA
CRYSTALLOGRAPHICA

The atomic scattering factors of Au⁺ and Hg⁺⁺. W. G. Henry (1954). Acta Cryst. 7, 138-139.

The compound Sr₃Ti₂O₇ and its structure. S. N. Ruddlesden & P. Popper (1958). Acta Cryst. 11, 54-55.

Polymorphism in potassium niobate, sodium niobate, and other ABO₃ compounds. E. A. Wood (1951). Acta Cryst. 4, 353-362.

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 packing of -helices: simple coiled-coils. F. H. C. Crick (1953). Acta Cryst. 6, 689-697.

The structure of sodium thymonucleate fibres. II. The cylindrically symmetrical Patterson function. R. E. Franklin & R. G. Gosling (1953). Acta Cryst. 6, 678-685.

Peter Debye, 1884-1966. P. P. Ewald (1967). Acta Cryst. 22, 947-949.

Max von Laue, 1879-1960. P. P. Ewald (1960). Acta Cryst. 13, 513-515.

Arthur Lindo Patterson, 1902-1966. R. E. Marsh & D. P. Shoemaker (1967). Acta Cryst. 22, 749-750.

The crystal structure of ferrocene. J. D. Dunitz, L. E. Orgel & A. Rich (1956). Acta Cryst. 9, 373-375.

The Fourier transform of a coiled-coil. F. H. C. Crick (1953). Acta Cryst. 6, 685-689.

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.

Structure cristalline de l'indirubine. H. Pandraud (1961). Acta Cryst. 14, 901-908.

Angle calculations for 3- and 4-circle X-ray and neutron diffractometers. W. R. Busing & H. A. Levy (1967). Acta Cryst. 22, 457-464.

The structure of graphitic carbons. R. E. Franklin (1951). Acta Cryst. 4, 253-261.

The scattering of electrons by atoms and crystals. I. A new theoretical approach. J. M. Cowley & A. F. Moodie (1957). Acta Cryst. 10, 609-619.

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FOUNDATIONS
ADVANCES

Relativistic spacetime crystals. V. Gopalan (2021). Acta Cryst. A77, 242-256.

Combining X-rays, neutrons and electrons, and NMR, for precision and accuracy in structure–function studies. J. R. Helliwell (2021). Acta Cryst. A77, 173-185.

Multipole electron densities and structural parameters from synchrotron powder X-ray diffraction data obtained with a MYTHEN detector system (OHGI). B. Svane, K. Tolborg, K. Kato & B. B. Iversen (2021). Acta Cryst. A77, 85-95.

Coordination sequences of crystals are of quasi-polynomial type. Y. Nakamura, R. Sakamoto, T. Mase & J. Nakagawa (2021). Acta Cryst. A77, 138-148.

A new electron diffraction approach for structure refinement applied to Ca₃Mn₂O₇. R. Beanland, K. Smith, P. Vaněk, H. Zhang, A. Hubert, K. Evans, R. A. Römer & S. Kamba (2021). Acta Cryst. A77, 196-207.

From crystal color symmetry to quantum spacetime. M. Bojowald & A. Saxena (2021). Acta Cryst. A77, 239-241.

Symmetry relations in wurtzite nitrides and oxide nitrides and the curious case of Pmc2₁. J. Breternitz & S. Schorr (2021). Acta Cryst. A77, 208-216.

A discussion on `Domain formation and phase transitions in the wurtzite-based heterovalent ternaries: a Landau theory analysis'. P. C. Quayle & J. Breternitz (2021). Acta Cryst. A77, 217-221.

Arithmetic proof of the multiplicity-weighted Euler characteristic for symmetrically arranged space-filling polyhedra. B. Naskręcki, Z. Dauter & M. Jaskolski (2021). Acta Cryst. A77, 126-129.

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.

The atomic structure of the Bergman-type icosahedral quasicrystal based on the Ammann–Kramer–Neri tiling. I. Buganski, J. Wolny & H. Takakura (2020). Acta Cryst. A76, 180-196.

A cloud platform for atomic pair distribution function analysis: PDFitc. L. Yang, E. A. Culbertson, N. K. Thomas, H. T. Vuong, E. T. S. Kjær, K. M. Ø. Jensen, M. G. Tucker & S. J. L. Billinge (2021). Acta Cryst. A77, 2-6.

Nothing trumps good data. A. A. Pinkerton (2021). Acta Cryst. A77, 83-84.

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.

The quaternion-based spatial-coordinate and orientation-frame alignment problems. A. J. Hanson (2020). Acta Cryst. A76, 432-457.

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STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

Lab in a DAC – high-pressure crystal chemistry in a diamond-anvil cell. A. Katrusiak (2019). Acta Cryst. B75, 918-926.

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.

Pristine and hydrated fluoroapatite (0001). X. Torrelles, I. M. Nadeem, A. Kupka, A. Crespo-Villanueva, S. Meis, H. Gies & O. Bikondoa (2019). Acta Cryst. B75, 830-838.

Synthesis, crystal structure and structure–property relations of strontium orthocarbonate, Sr₂CO₄. D. Laniel, J. Binck, B. Winkler, S. Vogel, T. Fedotenko, S. Chariton, V. Prakapenka, V. Milman, W. Schnick, L. Dubrovinsky & N. Dubrovinskaia (2021). Acta Cryst. B77, 131-137.

Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li₆La₃ZrTaO₁₂: an in situ temperature-dependence investigation (2.5 ≤ T ≤ 873 K). G. J. Redhammer, M. Meven, S. Ganschow, G. Tippelt & D. Rettenwander (2021). Acta Cryst. B77, 123-130.

Polymorphism and surface diversity arising from stress-induced transformations – the case of multicomponent forms of carbamazepine. G. Schneider-Rauber, M. Arhangelskis, A. D. Bond, R. Ho, N. Nere, S. Bordawekar, A. Y. Sheikh & W. Jones (2021). Acta Cryst. B77, 54-67.

Study on the structural phase transitions in NaSICON-type compounds using Ag₃Sc₂(PO₄)₃ as a model system. G. J. Redhammer, G. Tippelt, Q. Stahl, A. Benisek & D. Rettenwander (2021). Acta Cryst. B77, 10-22.

High-pressure preference for reduced water content in porous zinc aspartate hydrates. K. Roszak & A. Katrusiak (2020). Acta Cryst. B76, 795-801.

Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering. N. V. May, K. Nys, H. Y. V. Ching, L. Bereczki, T. Holczbauer, V. B. Di Marco & P. Bombicz (2021). Acta Cryst. B77, 193-204.

AB-stacked nanosheet-based hexagonal boron nitride. J.-K. Lee, J.-G. Kim, K. P. S. S. Hembram, S. Yu & S.-G. Lee (2021). Acta Cryst. B77, 260-265.

The role of hydrogen bonding in the incommensurate modulation of myo-inositol camphor ketal. V. Savic, F. Eder, C. Göb, M. D. Mihovilovic, C. Stanetty & B. Stöger (2021). Acta Cryst. B77, 83-92.

Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates. M. Beske, S. Cronje, M. U. Schmidt & L. Tapmeyer (2021). Acta Cryst. B77, 68-82.

Polymorphism of dimethylaminoborane N(CH₃)₂-BH₂. A. Bodach, T. Bernert, M. Fischer, M. B. Ley & C. Weidenthaler (2021). Acta Cryst. B77, 299-306.

A survey of thermal expansion coefficients for organic molecular crystals in the Cambridge Structural Database. A. D. Bond (2021). Acta Cryst. B77, 357-364.

Automated electron diffraction tomography – development and applications. U. Kolb, Y. Krysiak & S. Plana-Ruiz (2019). Acta Cryst. B75, 463-474.

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.

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STRUCTURAL
CHEMISTRY

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 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.

The decades-old mystery of bis(diethyl ether)tungsten(IV) chloride solved. A. Schäfer (2021). Acta Cryst. C77, 167-168.

(NH₄)Mg(HSO₄)(SO₄)(H₂O)₂ and NaSc(CrO₄)₂(H₂O)₂, two crystal structures comprising kröhnkite-type chains, and the temperature-induced phase transition (NH₄)Mg(HSO₄)(SO₄)(H₂O)₂ $\rightleftharpoons$ (NH₄)MgH(SO₄)₂(H₂O)₂. M. Weil & U. Kolitsch (2021). Acta Cryst. C77, 144-151.

Synthesis and characterization of enantiopure planar–chiral phosphorus-linked diferrocenes. P. Honegger, A. Roller & M. Widhalm (2021). Acta Cryst. C77, 152-160.

New node on the block for organic solid-state chemists: rtct-tetrakis(pyridin-4-yl)cyclobutane. E. W. Reinheimer (2021). Acta Cryst. C77, 123-124.

First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study. M. A. Alsafi, D. L. Hughes & M. A. Said (2020). Acta Cryst. C76, 1043-1050.

Variants of the X-phase in the Mn–Co–Ge system. V. Shtender, S. R. Larsen & M. Sahlberg (2021). Acta Cryst. C77, 176-180.

A new hydrate of magnesium carbonate, MgCO₃·6H₂O. C. Rincke, H. Schmidt & W. Voigt (2020). Acta Cryst. C76, 244-249.

The α-D-anomer of 2′-deoxycytidine: crystal structure, nucleoside conformation and Hirshfeld surface analysis. S. Budow-Busse, Y. Chai, S. L. Müller, C. Daniliuc & F. Seela (2021). Acta Cryst. C77, 202-208.

There's many a good tune played on an old fiddle – a new colour for Alfred Werner's isomer counting. E. C. Constable (2020). Acta Cryst. C76, 312-313.

Crystal structures of salts of bedaquiline. M. Okezue, D. Smith, M. Zeller, S. R. Byrn, P. Smith, S. Bogandowich-Knipp, D. K. Purcell & K. L. Clase (2020). Acta Cryst. C76, 1010-1023.

Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers. T. Rodríguez Tzompantzi, A. G. Amaro Hernández, R. L. Meza-León & S. Bernès (2019). Acta Cryst. C75, 1266-1273.

Improving the solubility of berberine. J. A. Fernandes (2020). Acta Cryst. C76, 117.

The many flavours of halogen bonds – message from experimental electron density and Raman spectroscopy. R. Wang, J. George, S. K. Potts, M. Kremer, R. Dronskowski & U. Englert (2019). Acta Cryst. C75, 1190-1201.

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

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.

Coma-corrected rapid single-particle cryo-EM data collection on the CRYO ARM 300. R. G. Efremov & A. Stroobants (2021). Acta Cryst. D77, 555-564.

Optimized cryo-EM data-acquisition workflow by sample-thickness determination. J. Rheinberger, G. Oostergetel, G. P. Resch & C. Paulino (2021). Acta Cryst. D77, 565-571.

Macromolecular crystallography using microcrystal electron diffraction. M. T. B. Clabbers & H. Xu (2021). Acta Cryst. D77, 313-324.

Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162. D. Moosmayer, A. Hilpmann, J. Hoffmann, L. Schnirch, K. Zimmermann, V. Badock, L. Furst, J. K. Eaton, V. S. Viswanathan, S. L. Schreiber, S. Gradl & R. C. Hillig (2021). Acta Cryst. D77, 237-248.

C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening. I. Sarrou, C. G. Feiler, S. Falke, N. Peard, O. Yefanov & H. Chapman (2021). Acta Cryst. D77, 224-236.

Methods for merging data sets in electron cryo-microscopy. M. E. Wilkinson, A. Kumar & A. Casañal (2019). Acta Cryst. D75, 782-791.

Protein identification from electron cryomicroscopy maps by automated model building and side-chain matching. T. C. Terwilliger, O. V. Sobolev, P. V. Afonine, P. D. Adams, C.-M. Ho, X. Li & Z. H. Zhou (2021). Acta Cryst. D77, 457-462.

Industrial cryo-EM facility setup and management. K. Sader, R. Matadeen, P. Castro Hartmann, T. Halsan & C. Schlichten (2020). Acta Cryst. D76, 313-325.

Integrated sample-handling and mounting system for fixed-target serial synchrotron crystallography. G. Illava, R. Jayne, A. D. Finke, D. Closs, W. Zeng, S. K. Milano, Q. Huang, I. Kriksunov, P. Sidorenko, F. W. Wise, W. R. Zipfel, B. A. Apker & R. E. Thorne (2021). Acta Cryst. D77, 628-644.

Homogeneous batch micro-crystallization of proteins from ammonium sulfate. C. Stohrer, S. Horrell, S. Meier, M. Sans, D. von Stetten, M. Hough, A. Goldman, D. C. F. Monteiro & A. R. Pearson (2021). Acta Cryst. D77, 194-204.

Cryo-EM of kinesin-binding protein: challenges and opportunities from protein-surface interactions. J. Atherton & C. A. Moores (2021). Acta Cryst. D77, 411-423.

Ice in biomolecular cryocrystallography. D. W. Moreau, H. Atakisi & R. E. Thorne (2021). Acta Cryst. D77, 540-554.

Non-merohedral twinning: from minerals to proteins. M. Sevvana, M. Ruf, I. Usón, G. M. Sheldrick & R. Herbst-Irmer (2019). Acta Cryst. D75, 1040-1050.

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.

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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.

checkCIF validation ALERTS: what they mean and how to respond. A. L. Spek (2020). Acta Cryst. E76, 1-11.

Crystal structures of two dysprosium–aluminium–sodium [3.3.1] metallacryptates that form two-dimensional sheets. J. R. Travis, G. P. Van Trieste III, M. Zeller & C. M. Zaleski (2020). Acta Cryst. E76, 1378-1390.

Practical hints and tips for solution of pseudo-merohedric twins: three case studies. S. R. Parkin (2021). Acta Cryst. E77, 452-465.

Crystal structure of the RuPhos ligand. K. M. Carsch, W. Ho, K. H. Lui, G. Valtierra, D. K. Dogutan, D. G. Nocera & S.-L. Zheng (2021). Acta Cryst. E77, 171-174.

2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in Bufo alvarius toads. D. N. K. Pham, A. R. Chadeayne, J. A. Golen & D. R. Manke (2021). Acta Cryst. E77, 190-194.

Norpsilocin: freebase and fumarate salt. A. R. Chadeayne, D. N. K. Pham, J. A. Golen & D. R. Manke (2020). Acta Cryst. E76, 589-593.

Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu₁₂S₆ nanoclusters. A. Gizatullin, J. Becker, D. Islamov, N. Serov, S. Schindler, A. Klimovitskii & V. Shtyrlin (2021). Acta Cryst. E77, 324-330.

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 and crystal structures of three [M(acac)₂(TMEDA)] complexes (M = Mn, Fe and Zn). J. H. Halz, C. Heiser, C. Wagner & K. Merzweiler (2020). Acta Cryst. E76, 66-71.

Synthesis and crystal structure of catena-poly[[tetra-μ-acetato-copper(II)]-μ-6-ethoxy-N²,N⁴-bis[2-(pyridin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine]. M. J. Ayodele, T. C. Green, W. A. C. V. Warsapperuma, M. D. E. Forbes & A. D. Ostrowski (2021). Acta Cryst. E77, 319-323.

Synthesis, crystal structure and Hirshfeld surface analysis of [bis(diphenylphosphanyl)methane-κP]chloridobis[2-(pyridin-2-yl)phenyl-κ²N,C¹]iridium(III). E. Klaimanee, P. Sangwisut, S. Saithong & N. Leesakul (2021). Acta Cryst. E77, 217-221.

Synthesis and crystal structure of allyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate. V. Nowatschin, C. Näther & U. Lüning (2021). Acta Cryst. E77, 331-334.

Some reflections on symmetry: pitfalls of automation and some illustrative examples. W. Clegg (2019). Acta Cryst. E75, 1812-1819.

Synthesis, crystal structure, Hirshfeld surface analysis and energy framework calculations of trans-3,7,9,9-tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine. M. Acelas, A. Dugarte-Dugarte, A. R. Romero Bohórquez, J. A. Henao, J. M. Delgado & G. Díaz de Delgado (2021). Acta Cryst. E77, 226-232.

Psilacetin derivatives: fumarate salts of the methyl–ethyl, methyl–allyl and diallyl variants of the psilocin prodrug. D. N. K. Pham, A. R. Chadeayne, J. A. Golen & D. R. Manke (2021). Acta Cryst. E77, 101-106.

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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.

Crystal structure of human CRM1, covalently modified by 2-mercaptoethanol on Cys528, in complex with RanGTP. A. Shaikhqasem, K. Schmitt, O. Valerius & R. Ficner (2021). Acta Cryst. F77, 70-78.

A new crystal form of GABARAPL2. K. Scicluna, G. Dewson, P. E. Czabotar & R. W. Birkinshaw (2021). Acta Cryst. F77, 140-147.

Engineering and crystal structure of a monomeric FLT3 ligand variant. E. Pannecoucke, L. Raes & S. N. Savvides (2021). Acta Cryst. F77, 121-127.

Crystallographic analysis and phasing of iron-assimilating protein 1 (FEA1) from Chlamydomonas reinhardtii. L. Juniar, V. Adlfar, M. Hippler, H. Tanaka & G. Kurisu (2021). Acta Cryst. F77, 134-139.

A fully automated crystallization apparatus for small protein quantities. R. Kato, M. Hiraki, Y. Yamada, M. Tanabe & T. Senda (2021). Acta Cryst. F77, 29-36.

Room-temperature neutron and X-ray data collection of 3CL M^pro from SARS-CoV-2. D. W. Kneller, G. Phillips, A. Kovalevsky & L. Coates (2020). Acta Cryst. F76, 483-487.

Structural analysis of the chicken FANCM–MHF complex and its stability. S. Ito & T. Nishino (2021). Acta Cryst. F77, 1-7.

High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP. M. A. Schumacher, T. Ohashi, L. Corbin & H. P. Erickson (2020). Acta Cryst. F76, 94-102.

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.

High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE. L. Azmi, E. C. Bragginton, I. T. Cadby, O. Byron, A. J. Roe, A. L. Lovering & M. Gabrielsen (2020). Acta Cryst. F76, 414-421.

Crystal structures of native cytochrome c₆ from Thermosynechococcus elongatus in two different space groups and implications for its oligomerization. S. Falke, C. Feiler, H. Chapman & I. Sarrou (2020). Acta Cryst. F76, 444-452.

Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target. S. Schüssler, I. Haase, M. Perbandt, B. Illarionov, A. Siemens, K. Richter, A. Bacher, M. Fischer & T. Gräwert (2019). Acta Cryst. F75, 586-592.

AMi: a GUI-based, open-source system for imaging samples in multi-well plates. A. Bohm (2019). Acta Cryst. F75, 531-536.

Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5. F. Radom, C. Vonrhein, P. R. E. Mittl & A. Plückthun (2021). Acta Cryst. F77, 192-201.

Structure of the 4-hydroxy-tetrahydrodipicolinate synthase from the thermoacidophilic methanotroph Methylacidiphilum fumariolicum SolV and the phylogeny of the aminotransferase pathway. R. A. Schmitz, A. Dietl, M. Müller, T. Berben, H. J. M. Op den Camp & T. R. M. Barends (2020). Acta Cryst. F76, 199-208.

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IUCrJ

Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials. S. E. Kutniewska, A. Krówczyński, R. Kamiński, K. N. Jarzembska, S. Pillet, E. Wenger & D. Schaniel (2020). IUCrJ 7, 1188-1198.

Structural biology in the time of COVID-19: perspectives on methods and milestones. M. L. Lynch, E. H. Snell & S. E. J. Bowman (2021). IUCrJ 8, 335-341.

Rapid response to emerging biomedical challenges and threats. M. Grabowski, J. M. Macnar, M. Cymborowski, D. R. Cooper, I. G. Shabalin, M. Gilski, D. Brzezinski, M. Kowiel, Z. Dauter, B. Rupp, A. Wlodawer, M. Jaskolski & W. Minor (2021). IUCrJ 8, 395-407.

Crystallographic models of SARS-CoV-2 3CL^pro: in-depth assessment of structure quality and validation. M. Jaskolski, Z. Dauter, I. G. Shabalin, M. Gilski, D. Brzezinski, M. Kowiel, B. Rupp & A. Wlodawer (2021). IUCrJ 8, 238-256.

Devitrification reduces beam-induced movement in cryo-EM. J.-P. Wieferig, D. J. Mills & W. Kühlbrandt (2021). IUCrJ 8, 186-194.

Distortions, deviations and alternative facts: reliability in crystallography. W. Clegg (2021). IUCrJ 8, 4-11.

Enhancing the signal-to-noise ratio and generating contrast for cryo-EM images with convolutional neural networks. E. Palovcak, D. Asarnow, M. G. Campbell, Z. Yu & Y. Cheng (2020). IUCrJ 7, 1142-1150.

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.

Crystal engineering in IUCrJ: from `the' crystal structure to `a' crystal structure. G. R. Desiraju (2021). IUCrJ 8, 148-149.

Cryo-EM structure of a thermostable bacterial nanocompartment. T. Wiryaman & N. Toor (2021). IUCrJ 8, 342-350.

Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone. T. Zacharchenko & S. Wright (2021). IUCrJ 8, 154-160.

Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme. J. Ramos, V. Laux, M. Haertlein, E. Boeri Erba, K. E. McAuley, V. T. Forsyth, E. Mossou, S. Larsen & A. E. Langkilde (2021). IUCrJ 8, 372-386.

Exploiting prior knowledge about biological macromolecules in cryo-EM structure determination. D. Kimanius, G. Zickert, T. Nakane, J. Adler, S. Lunz, C.-B. Schönlieb, O. Öktem & S. H. W. Scheres (2021). IUCrJ 8, 60-75.

Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. K. Michalska, Y. Kim, R. Jedrzejczak, N. I. Maltseva, L. Stols, M. Endres & A. Joachimiak (2020). IUCrJ 7, 814-824.

Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures. R. Melero, C. O. S. Sorzano, B. Foster, J.-L. Vilas, M. Martínez, R. Marabini, E. Ramírez-Aportela, R. Sanchez-Garcia, D. Herreros, L. del Caño, P. Losana, Y. C. Fonseca-Reyna, P. Conesa, D. Wrapp, P. Chacon, J. S. McLellan, H. D. Tagare & J.-M. Carazo (2020). IUCrJ 7, 1059-1069.

On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder. B. Dittrich (2021). IUCrJ 8, 305-318.

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JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

Grazing-incidence X-ray diffraction investigation of the coincidence site lattice of the Ge/Si(001) system. Y. Barnscheidt, J. Schmidt & H. J. Osten (2020). J. Appl. Cryst. 53, 1212-1216.

The advanced treatment of hydrogen bonding in quantum crystallography. L. A. Malaspina, A. Genoni, D. Jayatilaka, M. J. Turner, K. Sugimoto, E. Nishibori & S. Grabowsky (2021). J. Appl. Cryst. 54, 718-729.

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.

ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis. K. Manalastas-Cantos, P. V. Konarev, N. R. Hajizadeh, A. G. Kikhney, M. V. Petoukhov, D. S. Molodenskiy, A. Panjkovich, H. D. T. Mertens, A. Gruzinov, C. Borges, C. M. Jeffries, D. I. Svergun & D. Franke (2021). J. Appl. Cryst. 54, 343-355.

Upscaling X-ray nanoimaging to macroscopic specimens. M. Du, Z. Di, D. Gürsoy, R. P. Xian, Y. Kozorovitskiy & C. Jacobsen (2021). J. Appl. Cryst. 54, 386-401.

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals. P. R. Spackman, M. J. Turner, J. J. McKinnon, S. K. Wolff, D. J. Grimwood, D. Jayatilaka & M. A. Spackman (2021). J. Appl. Cryst. 54, 1006-1011.

Validation of the Crystallography Open Database using the Crystallographic Information Framework. A. Vaitkus, A. Merkys & S. Gražulis (2021). J. Appl. Cryst. 54, 661-672.

Polo: an open-source graphical user interface for crystallization screening. E. T. Holleman, E. Duguid, L. J. Keefe & S. E. J. Bowman (2021). J. Appl. Cryst. 54, 673-679.

Rietveld in 100 picoseconds. B. H. Toby (2021). J. Appl. Cryst. 54, 1-2.

Illustrated formalisms for total scattering data: a guide for new practitioners. P. F. Peterson, D. Olds, M. T. McDonnell & K. Page (2021). J. Appl. Cryst. 54, 317-332.

Facilitated crystal handling using a simple device for evaporation reduction in microtiter plates. T. Barthel, F. U. Huschmann, D. Wallacher, C. G. Feiler, G. Klebe, M. S. Weiss & J. Wollenhaupt (2021). J. Appl. Cryst. 54, 376-382.

The XBI BioLab for life science experiments at the European XFEL. H. Han, E. Round, R. Schubert, Y. Gül, J. Makroczyová, D. Meza, P. Heuser, M. Aepfelbacher, I. Barák, C. Betzel, P. Fromme, I. Kursula, P. Nissen, E. Tereschenko, J. Schulz, C. Uetrecht, J. Ulicný, M. Wilmanns, J. Hajdu, V. S. Lamzin & K. Lorenzen (2021). J. Appl. Cryst. 54, 7-21.

crystIT: complexity and configurational entropy of crystal structures via information theory. C. Kaußler & G. Kieslich (2021). J. Appl. Cryst. 54, 306-316.

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.

MATSAS: a small-angle scattering computing tool for porous systems. A. Rezaeyan, V. Pipich & A. Busch (2021). J. Appl. Cryst. 54, 697-706.

Tomographic X-ray scattering based on invariant reconstruction: analysis of the 3D nanostructure of bovine bone. P. De Falco, R. Weinkamer, W. Wagermaier, C. Li, T. Snow, N. J. Terrill, H. S. Gupta, P. Goyal, M. Stoll, P. Benner & P. Fratzl (2021). J. Appl. Cryst. 54, 486-497.

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JOURNAL OF
SYNCHROTRON
RADIATION

Synchrotron radiation and X-ray free-electron lasers (X-FELs) explained to all users, active and potential. Y. Hwu & G. Margaritondo (2021). J. Synchrotron Rad. 28, 1014-1029.

Novel experimental setup for megahertz X-ray diffraction in a diamond anvil cell at the High Energy Density (HED) instrument of the European X-ray Free-Electron Laser (EuXFEL). H. P. Liermann, Z. Konôpková, K. Appel, C. Prescher, A. Schropp, V. Cerantola, R. J. Husband, J. D. McHardy, M. I. McMahon, R. S. McWilliams, C. M. Pépin, J. Mainberger, M. Roeper, A. Berghäuser, H. Damker, P. Talkovski, M. Foese, N. Kujala, O. B. Ball, M. A. Baron, R. Briggs, M. Bykov, E. Bykova, J. Chantel, A. L. Coleman, H. Cynn, D. Dattelbaum, L. E. Dresselhaus-Marais, J. H. Eggert, L. Ehm, W. J. Evans, G. Fiquet, M. Frost, K. Glazyrin, A. F. Goncharov, H. Hwang, Z. Jenei, J.-Y. Kim, F. Langenhorst, Y. Lee, M. Makita, H. Marquardt, E. E. McBride, S. Merkel, G. Morard, E. F. O'Bannon III, C. Otzen, E. J. Pace, A. Pelka, J. S. Pigott, V. B. Prakapenka, R. Redmer, C. Sanchez-Valle, M. Schoelmerich, S. Speziale, G. Spiekermann, B. T. Sturtevant, S. Toleikis, N. Velisavljevic, M. Wilke, C.-S. Yoo, C. Baehtz, U. Zastrau & C. Strohm (2021). J. Synchrotron Rad. 28, 688-706.

HIPPIE: a new platform for ambient-pressure X-ray photoelectron spectroscopy at the MAX IV Laboratory. S. Zhu, M. Scardamaglia, J. Kundsen, R. Sankari, H. Tarawneh, R. Temperton, L. Pickworth, F. Cavalca, C. Wang, H. Tissot, J. Weissenrieder, B. Hagman, J. Gustafson, S. Kaya, F. Lindgren, I. Källquist, J. Maibach, M. Hahlin, V. Boix, T. Gallo, F. Rehman, G. D'Acunto, J. Schnadt & A. Shavorskiy (2021). J. Synchrotron Rad. 28, 624-636.

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.

I22: SAXS/WAXS beamline at Diamond Light Source – an overview of 10 years operation. A. J. Smith, S. G. Alcock, L. S. Davidson, J. H. Emmins, J. C. Hiller Bardsley, P. Holloway, M. Malfois, A. R. Marshall, C. L. Pizzey, S. E. Rogers, O. Shebanova, T. Snow, J. P. Sutter, E. P. Williams & N. J. Terrill (2021). J. Synchrotron Rad. 28, 939-947.

Single-pulse phase-contrast imaging at free-electron lasers in the hard X-ray regime. J. Hagemann, M. Vassholz, H. Hoeppe, M. Osterhoff, J. M. Rosselló, R. Mettin, F. Seiboth, A. Schropp, J. Möller, J. Hallmann, C. Kim, M. Scholz, U. Boesenberg, R. Schaffer, A. Zozulya, W. Lu, R. Shayduk, A. Madsen, C. G. Schroer & T. Salditt (2021). J. Synchrotron Rad. 28, 52-63.

Commissioning and operation status of the MAX IV 3 GeV storage ring vacuum system. M. Grabski & E. Al-Dmour (2021). J. Synchrotron Rad. 28, 718-731.

Staircase array of inclined refractive multi-lenses for large field of view pixel super-resolution scanning transmission hard X-ray microscopy. T. Mamyrbayev, K. Ikematsu, H. Takano, Y. Wu, K. Kimura, P. Doll, A. Last, A. Momose & P. Meyer (2021). J. Synchrotron Rad. 28, 732-740.

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.

Characterization and performance evaluation of the XSPA-500k detector using synchrotron radiation. Y. Nakaye, T. Sakumura, Y. Sakuma, S. Mikusu, A. Dawiec, F. Orsini, P. Grybos, R. Szczygiel, P. Maj, J. D. Ferrara & T. Taguchi (2021). J. Synchrotron Rad. 28, 439-447.

Anomalous SAXS at P12 beamline EMBL Hamburg: instrumentation and applications. A. Y. Gruzinov, M. A. Schroer, K. Manalastas-Cantos, A. G. Kikhney, N. R. Hajizadeh, F. Schulz, D. Franke, D. I. Svergun & C. E. Blanchet (2021). J. Synchrotron Rad. 28, 812-823.

Another step of the APXPS evolution taken at MAX IV synchrotron. S. Nemšák (2021). J. Synchrotron Rad. 28, 373-374.

Tools for supporting solution scattering during the COVID-19 pandemic. L. Yang, E. Lazo, J. Byrnes, S. Chodankar, S. Antonelli & M. Rakitin (2021). J. Synchrotron Rad. 28, 1237-1244.

Upgrade of the SPECIES beamline at the MAX IV Laboratory. E. Kokkonen, F. Lopes da Silva, M.-H. Mikkelã, N. Johansson, S.-W. Huang, J.-M. Lee, M. Andersson, A. Bartalesi, B. N. Reinecke, K. Handrup, H. Tarawneh, R. Sankari, J. Knudsen, J. Schnadt, C. Såthe & S. Urpelainen (2021). J. Synchrotron Rad. 28, 588-601.

A microfluidic dosimetry cell to irradiate solutions with poorly penetrating radiations: a step towards online dosimetry for synchrotron beamlines. L. Huart, C. Nicolas, M.-A. Hervé du Penhoat, J.-M. Guigner, C. Gosse, J. Palaudoux, S. Lefrançois, P. Mercere, P. Dasilva, J.-P. Renault & C. Chevallard (2021). J. Synchrotron Rad. 28, 778-789.

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IUCrData

Bufotenidinium iodide. D. N. K. Pham, A. R. Chadeayne, J. A. Golen & D. R. Manke (2021). IUCrData 6, x210123.

3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate. W. E. Noland, R. J. Herzig, R. J. Fox & K. J. Tritch (2021). IUCrData 6, x210391.

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.

(E)-2-(3,5-Dimethoxybenzylidene)indan-1-one. E. Encarnacion-Thomas, R. D. Sommer, A. Mallia & J. Sloop (2020). IUCrData 5, x200759.

Dichlorido(pyridine-κN)[2,3,5,6-tetrakis(pyridin-2-yl)pyrazine-κ³N²,N¹,N⁶]nickel(II). K. Ha (2021). IUCrData 6, x210094.

2,3-Dihydro-1H-cyclopenta[b]naphthalene-4,9-dione. S. Kotha, A. Fatma & S. Ansari (2021). IUCrData 6, x210167.

Synthesis and crystal structure of [Cs([2.2.2]crypt)]₂[Mo(CO)₅]. M. Kaas & N. Korber (2019). IUCrData 4, x191244.

N-[(Pyridin-2-yl)methyl]thiophene-2-carboxamide. M. Mohanbabu, P. N. Sathishkumar, N. S. P. Bhuvanesh, R. Karvembu & S. Aravindhan (2019). IUCrData 4, x190980.

9-[(Z)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9H-carbazole. M. Kanagawa, K. Akagi & T. Okuno (2021). IUCrData 6, x210142.

6,6′-[(3,3′-Di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine) benzene monosolvate. B. N. Leidecker, C. Kubis, A. Spannenberg, R. Franke & A. Börner (2019). IUCrData 4, x191636.

Hexaaquadodeca-μ₂-iodido-octahedro-hexatantalum diiodide tetrahydrate. F. Schröder & M. Köckerling (2021). IUCrData 6, x210304.

Bis[2,3-bis(pyridin-2-yl)pyrazine-κ²N²,N³]palladium(II) dinitrate acetonitrile monosolvate. K. Ha (2021). IUCrData 6, x210153.

Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate. A.-R. H. Al-Sudani, M. Q. Abdulridha & B. M. Kariuki (2021). IUCrData 6, x210150.

Di-μ₂-chlorido-bis{chlorido[2,4,6-tris(pyridin-2-yl)-1,3,5-triazine-κ³N²,N¹,N⁶]nickel(II)}. K. Ha (2021). IUCrData 6, x210093.

(Cobaltoceniumylamido)pyridinium hexafluoridophosphate. D. Menia, T. Höfer, K. Wurst & B. Bildstein (2021). IUCrData 6, x210460.

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