most read articles

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

ACTA
CRYSTALLOGRAPHICA

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

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

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.

Gmelin Handbuch der anorganischen Chemie. (Book received). Book-review editor (1950). Acta Cryst. 3, 80.

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

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

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

The crystal structure of silk fibroin. J. O. Warwicker (1954). Acta Cryst. 7, 565-573.

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 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.

Thermodynamics of lattice vibrations in non-cubic crystals: the zinc structure revisited. R. Tomaschitz (2021). Acta Cryst. A77, 420-432.

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

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.

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.

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

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.

Quaternions: what are they, and why do we need to know?. B. K. P. Horn (2020). Acta Cryst. A76, 556-558.

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.

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.

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.

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 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.

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.

Comparison of the temperature- and pressure-dependent behavior of the crystal structure of CrAs. A. Eich, A. Grzechnik, C. Paulmann, T. Müller, Y. Su, T. Wolf & K. Friese (2021). Acta Cryst. B77, 594-604.

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

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.

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.

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.

Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite. P. Ballirano, B. Celata, A. Pacella & F. Bosi (2021). Acta Cryst. B77, 537-549.

A new home for studies of crystal growth and characterisation. A. J. Blake, M. de Boissieu, A. Nangia, E. Boldyreva, A. Katrusiak, T. B. Bekker & K. E. Knope (2021). Acta Cryst. B77, 456-457.

Crystal structure of the uranyl arsenate mineral hügelite, Pb₂(UO₂)₃O₂(AsO₄)₂(H₂O)₅, revisited: a correct unit cell, twinning and hydrogen bonding. J. Plášil, V. Petříček & P. Škácha (2021). Acta Cryst. B77, 378-383.

Crystal structure of Z-DNA in complex with the polyamine putrescine and potassium cations at ultra-high resolution. P. Drozdzal, M. Gilski & M. Jaskolski (2021). Acta Cryst. B77, 331-338.

Modelling the structural variation of quartz and germanium dioxide with temperature by means of transformed crystallographic data. M. Fricke & N. W. Thomas (2021). Acta Cryst. B77, 427-440.

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

Crystal structure or chemical composition of salt–sugar-based metal–organic frameworks: what are the nonlinear optical properties due to?. D. Marabello, P. Antoniotti, P. Benzi, F. Beccari, C. Canepa, E. Cariati, A. Cioci & L. Lo Presti (2021). Acta Cryst. B77, 506-514.

Czochralski growth of mixed cubic sesquioxide crystals in the ternary system Lu₂O₃–Sc₂O₃–Y₂O₃. C. Kränkel, A. Uvarova, É. Haurat, L. Hülshoff, M. Brützam, C. Guguschev, S. Kalusniak & D. Klimm (2021). Acta Cryst. B77, 550-558.

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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.

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

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

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.

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.

(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.

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

Alkali metal salts of 4-hydroxybenzoic acid: a structural and educational study. B. F. Abrahams, C. J. Commons, T. A. Hudson, R. Sanchez Arlt, K. F. White, M. Chang, J. J. Jackowski, M. Lee, S. X. Lee, H. D. Liu, B. M. Mei, J. E. Meng, L. Poon, X. Xu & Z. Yu (2021). Acta Cryst. C77, 340-353.

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

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.

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.

Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene. P. E. Romo, J. Quiroga, J. Cobo & C. Glidewell (2021). Acta Cryst. C77, 496-504.

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

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.

Anthelmintic flavonoids and other compounds from Combretum glutinosum Perr. ex DC (Combretaceae) leaves. P. M. Toklo, E. Yayi Ladekan, A. Linden, S. Hounzangbe-Adote, S. F. Kouam & J. D. Gbenou (2021). Acta Cryst. C77, 505-512.

Structural investigations into a new polymorph of F₄TCNQ: towards enhanced semiconductor properties. N. T. Johnson, M. R. Probert & P. G. Waddell (2021). Acta Cryst. C77, 426-434.

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BIOLOGICAL
CRYSTALLOGRAPHY

Protein structure prediction by AlphaFold2: are attention and symmetries all you need?. N. Bouatta, P. Sorger & M. AlQuraishi (2021). Acta Cryst. D77, 982-991.

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.

How do I get the most out of my protein sequence using bioinformatics tools?. J. Pereira & V. Alva (2021). Acta Cryst. D77, 1116-1126.

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.

Introduction to molecular replacement: a time perspective. E. Dodson (2021). Acta Cryst. D77, 867-879.

Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion. R. Tamura-Sakaguchi, R. Aruga, M. Hirose, T. Ekimoto, T. Miyake, Y. Hizukuri, R. Oi, M. K. Kaneko, Y. Kato, Y. Akiyama, M. Ikeguchi, K. Iwasaki & T. Nogi (2021). Acta Cryst. D77, 645-662.

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

Modelling covalent linkages in CCP4. R. A. Nicholls, R. P. Joosten, F. Long, M. Wojdyr, A. Lebedev, E. Krissinel, L. Catapano, M. Fischer, P. Emsley & G. N. Murshudov (2021). Acta Cryst. D77, 712-726.

Notes of a protein crystallographer: the legacy of J.-B. J. Fourier – crystallography, time and beyond. C. Abad-Zapatero (2021). Acta Cryst. D77, 703-711.

CCD²: design constructs for protein expression, the easy way. A. G. Murachelli, G. Damaskos & A. Perrakis (2021). Acta Cryst. D77, 992-1000.

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.

FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. G. M. A. Lima, E. Jagudin, V. O. Talibov, L. S. Benz, C. Marullo, T. Barthel, J. Wollenhaupt, M. S. Weiss & U. Mueller (2021). Acta Cryst. D77, 799-808.

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.

The missing link: covalent linkages in structural models. R. A. Nicholls, M. Wojdyr, R. P. Joosten, L. Catapano, F. Long, M. Fischer, P. Emsley & G. N. Murshudov (2021). Acta Cryst. D77, 727-745.

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CRYSTALLOGRAPHIC
COMMUNICATIONS

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

Space groups and crystallographic symmetry: writing a multi-featured tutorial in a new style. B. M. Foxman (2021). Acta Cryst. E77, 857-863.

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

Teaching space-group diagrams to chemistry students through a peer-tutoring approach. S.-L. Zheng & M. G. Campbell (2021). Acta Cryst. E77, 864-866.

Refinement of K[HgI₃]·H₂O using non-spherical atomic form factors. M. Chocolatl Torres, S. Bernès & U. Salazar Kuri (2021). Acta Cryst. E77, 681-685.

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

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.

Crystal structure refinement of magnesium zinc divanadate, MgZnV₂O₇, from powder X-ray diffraction data. S. J. Hong, J. Li & M. A. Subramanian (2021). Acta Cryst. E77, 588-591.

Two polymorphs of [Rh(μ-I)(COD)]₂. D. R. Ullery, C. E. Moore & C. M. Thomas (2021). Acta Cryst. E77, 871-874.

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.

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.

Synthesis and crystal structure of 1-hydroxy-8-methyl-9H-carbazole-2-carbaldehyde. A. A. Thiruvalluvar, M. Sridharan, K. J. Rajendra Prasad & M. Zeller (2021). Acta Cryst. E77, 867-870.

2-O-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths. F. Geburtig & V. Vill (2020). Acta Cryst. E76, 924-928.

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

Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate. N. Akduran, T. Karakurt & T. Hökelek (2021). Acta Cryst. E77, 686-691.

5-Methoxy-N,N-di-n-propyltryptamine (5-MeO-DPT): freebase and fumarate. D. N. K. Pham, A. R. Chadeayne, J. A. Golen & D. R. Manke (2021). Acta Cryst. E77, 522-526.

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STRUCTURAL BIOLOGY
COMMUNICATIONS

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

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.

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

Crystal structure of the TLDc domain of human NCOA7-AS. M. Arnaud-Arnould, M. Tauziet, O. Moncorgé, C. Goujon & M. Blaise (2021). Acta Cryst. F77, 230-237.

Phosphorus and sulfur SAD phasing of the nucleic acid-bound DNA-binding domain of interferon regulatory factor 4. A. Agnarelli, K. El Omari, R. Duman, A. Wagner & E. J. Mancini (2021). Acta Cryst. F77, 202-207.

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.

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.

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.

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.

Structure of an H3N2 influenza virus nucleoprotein. M. L. Knight, H. Fan, D. L. V. Bauer, J. M. Grimes, E. Fodor & J. R. Keown (2021). Acta Cryst. F77, 208-214.

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.

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.

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.

Visualizing an unseen enemy; mobilizing structural biology to counter COVID-19. E. N. Baker (2020). Acta Cryst. F76, 158-159.

Site 2 of the Yersinia pestis substrate-binding protein YfeA is a dynamic surface metal-binding site. C. D. Radka & S. G. Aller (2021). Acta Cryst. F77, 286-293.

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.

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IUCrJ

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.

High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen. T. Engstrom, J. A. Clinger, K. A. Spoth, O. B. Clarke, D. S. Closs, R. Jayne, B. A. Apker & R. E. Thorne (2021). IUCrJ 8, https://doi.org/10.1107/S2052252521008095.

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.

John C. H. Spence (1946–2021). H. N. Chapman, S. S. Hasnain & U. Weierstall (2021). IUCrJ 8, 705-708.

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.

Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography. S. Pandey, G. Calvey, A. M. Katz, T. N. Malla, F. H. M. Koua, J. M. Martin-Garcia, I. Poudyal, J.-H. Yang, M. Vakili, O. Yefanov, K. A. Zielinski, S. Bajt, S. Awel, K. Doerner, M. Frank, L. Gelisio, R. Jernigan, H. Kirkwood, M. Kloos, J. Koliyadu, V. Mariani, M. D. Miller, G. Mills, G. Nelson, J. L. Olmos Jr, A. Sadri, T. Sato, A. Tolstikova, W. Xu, A. Ourmazd, J. H. C. Spence, P. Schwander, A. Barty, H. N. Chapman, P. Fromme, A. P. Mancuso, G. N. Phillips Jr, R. Bean, L. Pollack & M. Schmidt (2021). IUCrJ 8, https://doi.org/10.1107/S2052252521008125.

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 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.

Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis. P. Asthana, D. Singh, J. S. Pedersen, M. J. Hynönen, R. Sulu, A. V. Murthy, M. Laitaoja, J. Jänis, L. W. Riley & R. Venkatesan (2021). IUCrJ 8, 757-774.

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

Electron-event representation data enable efficient cryoEM file storage with full preservation of spatial and temporal resolution. H. Guo, E. Franken, Y. Deng, S. Benlekbir, G. Singla Lezcano, B. Janssen, L. Yu, Z. A. Ripstein, Y. Z. Tan & J. L. Rubinstein (2020). IUCrJ 7, 860-869.

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.

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.

Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments. A. Gorel, I. Schlichting & T. R. M. Barends (2021). IUCrJ 8, 532-543.

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JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

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.

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.

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.

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.

Quantifying the robustness of the neutron reflectometry technique for structural characterization of polymer brushes. I. J. Gresham, T. J. Murdoch, E. C. Johnson, H. Robertson, G. B. Webber, E. J. Wanless, S. W. Prescott & A. R. J. Nelson (2021). J. Appl. Cryst. 54, 739-750.

A capillary-based microfluidic device enables primary high-throughput room-temperature crystallographic screening. S. Sui, A. Mulichak, R. Kulathila, J. McGee, D. Filiatreault, S. Saha, A. Cohen, J. Song, H. Hung, J. Selway, C. Kirby, O. K. Shrestha, W. Weihofen, M. Fodor, M. Xu, R. Chopra & S. L. Perry (2021). J. Appl. Cryst. 54, 1034-1046.

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.

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.

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.

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.

lamaGOET: an interface for quantum crystallography. L. A. Malaspina, A. Genoni & S. Grabowsky (2021). J. Appl. Cryst. 54, 987-995.

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.

PtychoShelves, a versatile high-level framework for high-performance analysis of ptychographic data. K. Wakonig, H.-C. Stadler, M. Odstrčil, E. H. R. Tsai, A. Diaz, M. Holler, I. Usov, J. Raabe, A. Menzel & M. Guizar-Sicairos (2020). J. Appl. Cryst. 53, 574-586.

Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing. C. Schlesinger, S. Habermehl & D. Prill (2021). J. Appl. Cryst. 54, 776-786.

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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.

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.

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.

Single-particle cryo-EM: alternative schemes to improve dose efficiency. Y. Zhang, P.-H. Lu, E. Rotunno, F. Troiani, J. P. van Schayck, A. H. Tavabi, R. E. Dunin-Borkowski, V. Grillo, P. J. Peters & R. G. B. Ravelli (2021). J. Synchrotron Rad. 28, 1343-1356.

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.

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.

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 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.

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.

Extending synchrotron SAXS instrument ranges through addition of a portable, inexpensive USAXS module with vertical rotation axes. B. R. Pauw, A. J. Smith, T. Snow, O. Shebanova, J. P. Sutter, J. Ilavsky, D. Hermida-Merino, G. J. Smales, N. J. Terrill, A. F. Thünemann & W. Bras (2021). J. Synchrotron Rad. 28, 824-833.

Ring artifact reduction via multiscale nonlocal collaborative filtering of spatially correlated noise. Y. Mäkinen, S. Marchesini & A. Foi (2021). J. Synchrotron Rad. 28, 876-888.

A UHV MOKE magnetometer complementing XMCD-PEEM at the Elettra Synchrotron. F. Genuzio, T. Giela, M. Lucian, T. O. Menteş, C. A. Brondin, G. Cautero, P. Mazalski, S. Bonetti, J. Korecki & A. Locatelli (2021). J. Synchrotron Rad. 28, 995-1005.

The FEL in the SXL project at MAX IV. W. Qin, F. Curbis, J. Andersson, V. Goryashko, L. Isaksson, B. Kyle, F. Lindau, E. Mansten, M. Pop, P. Salén, H. Tarawneh, P. F. Tavares, S. Thorin, A. Vorozhtsov & S. Werin (2021). J. Synchrotron Rad. 28, 707-717.

An open-access future for Journal of Synchrotron Radiation – Editorial from the Main Editors and IUCr Journals Editor-in-Chief. K. Kvashnina, Y. Amemiya, D. Bhattacharyya, I. Lindau & A. J. Allen (2021). J. Synchrotron Rad. 28, 1273-1274.

Beam heating from a fourth-generation synchrotron source. E. Lawrence Bright, C. Giacobbe & J. P. Wright (2021). J. Synchrotron Rad. 28, 1377-1385.

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IUCrData

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.

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

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

Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate). Y. Ichimaru, K. Kato, H. Kurosaki, H. Fujioka, M. Sakai, Y. Yamaguchi, J. Wanchun, K. Sugiura, M. Imai & T. Koike (2021). IUCrData 6, x210397.

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.

Bis(2,4-dioxopentan-3-ido-κ²O,O′)dioxidomolybdenum(VI): a redetermination. D. H. Johnston, C. King, A. Seitz & M. Sethi (2021). IUCrData 6, x210778.

Quinine dihydrochloride hemihydrate. G. I. Anderson, S. Bellia, M. Zeller, P. C. Hillesheim & A. Mirjafari (2021). IUCrData 6, x210406.

4-(2,3-Dichlorophenyl)piperazin-1-ium picrate. U. Sathya, J. S. Nirmal Ram, S. Gomathi, S. Ramu, S. Jegan Jennifer & A. R. Ibrahim (2021). IUCrData 6, x210379.

Poly[octacarbonylheptakis(tetrahydrofuran)diironmanganesedisodium(2 Mn—Fe)]. G. N. Harakas & B. R. Whittlesey (2021). IUCrData 6, x210845.

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.

catena-Poly[[bis(quinolin-8-amine-κ²N,N′)cadmium(II)]-μ-cyanido-κ²N:C-[dicyanidonickel(II)]-μ-cyanido-κ²C:N]. S. Khelfa, M. Touil, Z. Setifi, F. Setifi, M. H. Al-Douh & C. Glidewell (2021). IUCrData 6, x210568.

catena-Poly[[bis(1H-indole-5-carboxylato-κ²O,O′)zinc(II)]-μ-4,4′-azobipyridine-κ²N¹:N^1′]. U. Sathya, J. S. Nirmal Ram, S. Gomathi, S. Jegan Jennifer & I. Abdul Razak (2021). IUCrData 6, x210522.

1,1′-Methylenebis(4-tert-butylpyridinium) dichloride hemihydrate. J. P. J. Bruekers, J. A. A. W. Elemans, R. J. M. Nolte & P. Tinnemans (2021). IUCrData 6, x210768.

Tetraammonium bis(metforminium) di-μ₆-oxido-tetra-μ₃-oxido-tetradeca-μ₂-oxido-octaoxidodecavanadium(V) hexahydrate. J. A. Polito-Lucas, J. A. Núñez-Ávila, S. Bernès & A. Pérez-Benítez (2021). IUCrData 6, x210634.

1-Benzyl-3-methylimidazolium bromide. T. Peppel, C. Wulf & A. Spannenberg (2020). IUCrData 5, x200768.

8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin (capensine). A. Mamadrakhimov, L. Mutalliyev, S. Abdullaev, K. Khodjaniyazov, L. Izotova & H. A. Aisa (2021). IUCrData 6, x210451.

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