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 packing of [alpha]-helices: simple coiled-coils. F. H. C. Crick (1953). Acta Cryst. 6, 689-697. 
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. 
Polymorphism in potassium niobate, sodium niobate, and other ABO3 compounds. E. A. Wood (1951). Acta Cryst. 4, 353-362. 
The crystal structure of ferrocene. J. D. Dunitz, L. E. Orgel & A. Rich (1956). Acta Cryst. 9, 373-375. 
The crystal structures of WTe2 and high-temperature MoTe2. B. E. Brown (1966). Acta Cryst. 20, 268-274. 
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 scattering of electrons by atoms and crystals. I. A new theoretical approach. J. M. Cowley & A. F. Moodie (1957). Acta Cryst. 10, 609-619. 
Line profiles of neutron powder-diffraction peaks for structure refinement. H. M. Rietveld (1967). Acta Cryst. 22, 151-152. 
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 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. 
Complex alloy structures regarded as sphere packings. I. Definitions and basic principles. F. C. Frank & J. S. Kasper (1958). Acta Cryst. 11, 184-190. 
The crystal structure of samarium. A. H. Daane, R. E. Rundle, H. G. Smith & F. H. Spedding (1954). Acta Cryst. 7, 532-535. 
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FOUNDATIONS
ADVANCES
A simplified relationship between the modified O-lattice and the rotation matrix for generating the coincidence site lattice of an arbitrary Bravais lattice system. H. Liu (2022). Acta Cryst. A78, 139-148. 
Quaternions: what are they, and why do we need to know?. B. K. P. Horn (2020). Acta Cryst. A76, 556-558. 
Identification of a coherent twin relationship from high-resolution reciprocal-space maps. S. Gorfman, D. Spirito, G. Zhang, C. Detlefs & N. Zhang (2022). Acta Cryst. A78, 158-171. 
Ab initio reconstruction from one-dimensional crystal diffraction data. R. D. Arnal & R. P. Millane (2022). Acta Cryst. A78, 249-261. 
Bond topology of chain, ribbon and tube silicates. Part I. Graph-theory generation of infinite one-dimensional arrangements of (TO4)n− tetrahedra. M. C. Day & F. C. Hawthorne (2022). Acta Cryst. A78, 212-233. 
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. II. Experimental results. J. Simbrunner, J. Domke, F. Sojka, A. Jeindl, F. Otto, M. Gruenewald, O. T. Hofmann, T. Fritz, R. Resel & R. Forker (2022). Acta Cryst. A78, 272-282. 
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. I. Theory. J. Simbrunner, J. Domke, R. Forker, R. Resel & T. Fritz (2022). Acta Cryst. A78, 262-271. 
Objective crystallographic symmetry classifications of a noisy crystal pattern with strong Fedorov-type pseudo­symmetries and its optimal image-quality enhancement. P. Moeck (2022). Acta Cryst. A78, 172-199. 
Introducing a unified magnetic space-group symbol. B. J. Campbell, H. T. Stokes, J. M. Perez-Mato & J. Rodríguez-Carvajal (2022). Acta Cryst. A78, 99-106. 
Uwe Grimm (1963–2021). M. Baake, R. McGrath & R. A. Römer (2022). Acta Cryst. A78, 63-64. 
Irreducible and site-symmetry-induced representations of single/double ordinary/grey layer groups. B. Nikolić, I. Milošević, T. Vuković, N. Lazić, S. Dmitrović, Z. Popović & M. Damnjanović (2022). Acta Cryst. A78, 107-114. 
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. 
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. 
Relativistic spacetime crystals. V. Gopalan (2021). Acta Cryst. A77, 242-256. 
Macromol­ecular phasing using diffraction from multiple crystal forms. M. Metz, R. D. Arnal, W. Brehm, H. N. Chapman, A. J. Morgan & R. P. Millane (2021). Acta Cryst. A77, 19-35. 
Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server. G. de la Flor, B. Souvignier, G. Madariaga & M. I. Aroyo (2021). Acta Cryst. A77, 559-571. 
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STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
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. 
Phase transitions and (p–T–X) behaviour of centrosymmetric perovskites: modelling with transformed crystallographic data. N. W. Thomas (2022). Acta Cryst. B78, 40-60. 
Circumventing a challenging aspect of crystal structure determination from powder diffraction data. K. D. M. Harris (2022). Acta Cryst. B78, 96-99. 
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions. S. Habermehl, C. Schlesinger & M. U. Schmidt (2022). Acta Cryst. B78, 195-213. 
Jack David Dunitz (1923–2021) and chemical crystallography. H.-B. Bürgi (2022). Acta Cryst. B78, 270-273. 
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis. R. Pal, C. Jelsch, K. Momma & S. Grabowsky (2022). Acta Cryst. B78, 231-246. 
Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first N,N′,N′′-tri­alkyl­diindolocarbazole. A. Vilche, R. Bujaldón, X. Alcobé, D. Velasco & C. Puigjaner (2022). Acta Cryst. B78, 253-260. 
A four-dimensional model for the Ba–Ti–O dodeca­gonal quasicrystal. T. Yamada (2022). Acta Cryst. B78, 247-252. 
Effect of synchrotron X-ray radiation damage on phase transitions in coordination polymers at high pressure. I. E. Collings & M. Hanfland (2022). Acta Cryst. B78, 100-106. 
A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity. P. Lian, L. Zhang, H. Su, J. Chen, L. Chen & J. Wang (2022). Acta Cryst. B78, 133-139. 
Interplay of thermal diffuse scattering and correlated compositional disorder in KCl1–xBrx. E. M. Schmidt, S. Thomas, J. M. Bulled, A. Minelli & A. L. Goodwin (2022). Acta Cryst. B78, 385-391. 
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 structures. H.-B. Bürgi (2022). Acta Cryst. B78, 283-289. 
Ab initio simulations of α- and β-ammonium carbamate (NH4·NH2CO2), and the thermal expansivity of deuterated α-ammonium carbamate from 4.2 to 180 K by neutron powder diffraction. C. M. Howard, I. G. Wood, K. S. Knight & A. D. Fortes (2022). Acta Cryst. B78, 459-475. 
Structure correlation and dynamics in crystals – a tribute to Hans-Beat Bürgi. S. Grabowsky & M. A. Spackman (2022). Acta Cryst. B78, 281-282. 
ChemEnv: a fast and robust coordination environment identification tool. D. Waroquiers, J. George, M. Horton, S. Schenk, K. A. Persson, G.-M. Rignanese, X. Gonze & G. Hautier (2020). Acta Cryst. B76, 683-695. 
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STRUCTURAL
CHEMISTRY
Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples. A. M. Sherwood, R. B. Kargbo, K. W. Kaylo, N. V. Cozzi, P. Meisenheimer & J. A. Kaduk (2022). Acta Cryst. C78, 36-55. 
Crystallographic hallucinations. B. H. Toby (2022). Acta Cryst. C78, 70-71. 
Coordination chemistry of polynitriles. Part 9. Deca­cyano­ferrocene revisited: crystal and mol­ecular structure of cis-[{C5(CN)5}2(MeCN)4Fe]. K. Sünkel & T. Blockhaus (2022). Acta Cryst. C78, 94-100. 
8-Furyl­imidazolo-2′-de­oxy­cytidine: crystal structure, packing, atropisomerism and fluorescence. S. Budow-Busse, S. K. Jana, D. Kondhare, C. Daniliuc & F. Seela (2022). Acta Cryst. C78, 141-147. 
Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN2S and [9]aneNS2 towards silver(I). A. J. Blake, V. Lippolis & M. Schröder (2022). Acta Cryst. C78, 169-175. 
Synthesis and structure of two isomers of a molybdenum(II) 2-butyne com­plex stabilized by bioinspired S,N-bidentate ligands. M. A. Ehweiner, F. Belaj & N. C. Mösch-Zanetti (2022). Acta Cryst. C78, 218-222. 
Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na4[Mo2O2(OH)4(C6H4NO2)2]2[Mo120Ce6O366H12(OH)2(H2O)76]∼200H2O. E. Al-Sayed, E. Tanuhadi, G. Giester & A. Rompel (2022). Acta Cryst. C78, 299-304. 
Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite. E. L. Arnold, D. S. Keeble, J. P. O. Evans, C. Greenwood & K. D. Rogers (2022). Acta Cryst. C78, 271-279. 
Synthesis, structural analysis, and docking studies with SARS-CoV-2 of a trinuclear zinc com­plex with N-phenyl­anthranilic acid ligands. A. L. Mbani O., E. F. Bonnand, A. G. Paboudam, J. P. Brannon, K. D. Gardner-Ricossa, S. C. E. Stieber & M. O. Agwara (2022). Acta Cryst. C78, 231-239. 
Comment on molybdenum polyoxo clusters: from the `Blues' to the `Reds'. B. Krebs (2022). Acta Cryst. C78, 322-323. 
Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetra­fluoro­diiodo­benzene. S. van Terwingen, B. Ebel, R. Wang & U. Englert (2022). Acta Cryst. C78, 324-331. 
Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing Z′. M. N. Gordon, Y. Liu, I. H. Shafei, M. K. Brown & S. E. Skrabalak (2022). Acta Cryst. C78, 257-264. 
Structural studies of various olmesartan solvates. I. G. Grosu, F. Martin, A. Turza, M. Miclaus, I. Kacso & G. Borodi (2022). Acta Cryst. C78, 240-249. 
Crystal and mol­ecular structures of fac-[Re(Bid)(PPh3)(CO)3] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr3H)]. M. Schutte-Smith & H. G. Visser (2022). Acta Cryst. C78, 351-359. 
Deep hydration of an Li7–3xLa3Zr2MIIIxO12 solid-state electrolyte material: a case study on Al- and Ga-stabilized LLZO. G. J. Redhammer, G. Tippelt & D. Rettenwander (2022). Acta Cryst. C78, 1-6. 
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. 
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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. 
Real space in cryo-EM: the future is local. C. M. Palmer & C. H. S. Aylett (2022). Acta Cryst. D78, 136-143. 
A new inactive conformation of SARS-CoV-2 main protease. E. Fornasier, M. L. Macchia, G. Giachin, A. Sosic, M. Pavan, M. Sturlese, C. Salata, S. Moro, B. Gatto, M. Bellanda & R. Battistutta (2022). Acta Cryst. D78, 363-378. 
Databases for intrinsically disordered proteins. D. Piovesan, A. M. Monzon, F. Quaglia & S. C. E. Tosatto (2022). Acta Cryst. D78, 144-151. 
Implications of AlphaFold2 for crystallographic phasing by molecular replacement. A. J. McCoy, M. D. Sammito & R. J. Read (2022). Acta Cryst. D78, 1-13. 
Determining the oxidation state of elements by X-ray crystallography. F. Lennartz, J.-H. Jeoung, S. Ruenger, H. Dobbek & M. S. Weiss (2022). Acta Cryst. D78, 238-247. 
High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system. C. Heim & M. D. Hartmann (2022). Acta Cryst. D78, 290-298. 
Atomic model validation using the CCP-EM software suite. A. P. Joseph, M. Olek, S. Malhotra, P. Zhang, K. Cowtan, T. Burnley & M. D. Winn (2022). Acta Cryst. D78, 152-161. 
How do I get the most out of my protein sequence using bioinformatics tools?. J. Pereira & V. Alva (2021). Acta Cryst. D77, 1116-1126. 
Fast fragment- and compound-screening pipeline at the Swiss Light Source. J. W. Kaminski, L. Vera, D. Stegmann, J. Vering, D. Eris, K. M. L. Smith, C.-Y. Huang, N. Meier, J. Steuber, M. Wang, G. Fritz, J. A. Wojdyla & M. E. Sharpe (2022). Acta Cryst. D78, 328-336. 
Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6. J. Ahlqvist, J. A. Linares-Pastén, M. Håkansson, A. Jasilionis, K. Kwiatkowska-Semrau, Ó.H. Friðjónsson, A.-K. Kaczorowska, S. Dabrowski, A. Ævarsson, G. Ó. Hreggviðsson, S. Al-Karadaghi, T. Kaczorowski & E. Nordberg Karlsson (2022). Acta Cryst. D78, 212-227. 
Structural snapshot of a glycoside hydrolase family 8 endo-β-1,4-glucanase capturing the state after cleavage of the scissile bond. T. Fujiwara, A. Fujishima, Y. Nakamura, K. Tajima & M. Yao (2022). Acta Cryst. D78, 228-237. 
Notes of a protein crystallographer: the advantages of combining new integrated methods of structure solution with traditional data visuals. C. Abad-Zapatero (2022). Acta Cryst. D78, 260-267. 
The suppressor of copper sensitivity protein C from Caulobacter crescentus is a trimeric disulfide isomerase that binds copper(I) with subpicomolar affinity. G. A. Petit, Y. Hong, K. Y. Djoko, A. E. Whitten, E. J. Furlong, A. J. McCoy, J. M. Gulbis, M. Totsika, J. L. Martin & M. A. Halili (2022). Acta Cryst. D78, 337-352. 
Detecting ice artefacts in processed macromolecular diffraction data with machine learning. K. Nolte, Y. Gao, S. Stäb, P. Kollmannsberger & A. Thorn (2022). Acta Cryst. D78, 187-195. 
Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain. R. Vázquez, M. Seoane-Blanco, V. Rivero-Buceta, S. Ruiz, M. J. van Raaij & P. García (2022). Acta Cryst. D78, 435-454. 
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CRYSTALLOGRAPHIC
COMMUNICATIONS
Crystal structure of serotonin. M. Naeem, A. R. Chadeayne, J. A. Golen & D. R. Manke (2022). Acta Cryst. E78, 365-368. 
Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclo­hexyl backbones. T. Trieu-Tran, S. N. Martinez, J. P. Brannon, S. C. E. Stieber & A. John (2022). Acta Cryst. E78, 244-250. 
Chloro­cobalt complexes with pyridyl­ethyl-derived di­aza­cyclo­alkanes. A. W. Addison, S. J. Jaworski, J. P. Jasinski, M. M. Turnbull, F. Xiao, M. Zeller, M. A. O'Connor & E. A. Brayman (2022). Acta Cryst. E78, 235-243. 
Ciprofloxacin salt and salt co-crystal with di­hydroxy­benzoic acids. Y. P. Nugraha, H. Sugiyama & H. Uekusa (2022). Acta Cryst. E78, 259-263. 
Single-crystal structure analysis of non-deuterated triglycine sulfate by neutron diffraction at 20 and 298 K: a new disorder model for the 298 K structure. Y. Terasawa, T. Ohhara, S. Sato, S. Yoshida & T. Asahi (2022). Acta Cryst. E78, 306-312. 
Crystal structures of 3-halo-2-organochalcogenylbenzo[b]chalcogenophenes. E. Q. Luz, F. S. Santana, G. L. Silverio, S. C. M. C. Tullio, B. Iodice, L. D. T. Prola, R. V. Barbosa & D. S. Rampon (2022). Acta Cryst. E78, 275-281. 
Crystal structure of 1H-imidazole-1-methanol. M. M. Wysocki, G. Puzovic, K. L. Dowell, E. W. Reinheimer & D. L. Gerlach (2022). Acta Cryst. E78, 377-380. 
Synthesis and crystal structure of poly[[bis­(aqua-κO)tetra­kis­(μ-4,4′-bi­pyridine-κ2N:N′)hexa­kis­(3-chloro­benzoato)-κ5O;κ2O:O′-tricobalt(II)] methanol disolvate]. P. Promwit, K. Chainok & N. Wannarit (2022). Acta Cryst. E78, 255-258. 
Synthesis, crystal structure, Hirshfeld surface and void analysis of bis­(μ2-4-amino­benzoato-κ2O:O′)bis­[bis­(4-amino­benzoato-κ2O,O′)di­aquathulium(III)] dihydrate. K. S. Ali, M. Ashfaq, M. N. Tahir, E. M. Movsumov & K. S. Munawar (2022). Acta Cryst. E78, 282-286. 
Crystal structure of 1,1′,2,2′,4,4′-hexa­iso­propyl­magnesocene. N. Bachmann, L. Wirtz, B. Morgenstern, C. Müller & A. Schäfer (2022). Acta Cryst. E78, 287-290. 
Crystal structures of two Co(NCS)2 urotropine coordination compounds with different Co coordinations. C. Krebs, I. Jess & C. Näther (2022). Acta Cryst. E78, 264-269. 
Crystal structure of tris­(4,7-diphenyl-1,10-phenanthroline-κ2N,N′)cobalt(III) tris­(hexa­fluoro­phosphate) monohydrate. A. Mani, J. E. Belgaied, G. Gasser & O. Blacque (2022). Acta Cryst. E78, 313-316. 
Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromo­phen­yl)-6-oxo-1-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carbo­nitrile. I. G. Mamedov, V. N. Khrustalev, M. Akkurt, A. P. Novikov, A. R. Asgarova, K. N. Aliyeva & A. A. Akobirshoeva (2022). Acta Cryst. E78, 291-296. 
Synthesis and crystal structure of poly[[di-μ3-tetra­thio­anti­monato-tris­[(cyclam)cobalt(II)]] aceto­nitrile disolvate dihydrate] (cyclam = 1,4,8,11-tetra­aza­cyclo­tetra­deca­ne). C. Näther, F. Danker & W. Bensch (2022). Acta Cryst. E78, 270-274. 
Novel three-dimensional coordination polymer of 2-(1,3,5-tri­aza-7-phospho­niatri­cyclo­[3.3.1.13,7]decan-7-yl)ethanoic acid with silver(I) tetra­fluoro­borate. A. Udvardy, Á. Kathó, G. Papp, F. Joó & G. T. Gál (2022). Acta Cryst. E78, 251-254. 
Crystal structures of N-[4-(tri­fluoro­meth­yl)phen­yl]benzamide and N-(4-meth­oxy­phen­yl)benz­amide at 173 K: a study of the energetics of conformational changes due to crystal packing. W. H. Pearson, J. J. Urban, A. H. R. MacArthur, S. Lin & D. W. L. Cabrera (2022). Acta Cryst. E78, 297-305. 
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STRUCTURAL BIOLOGY
COMMUNICATIONS
6-Phosphogluconate dehydrogenase and its crystal structures. S. Hanau & J. R. Helliwell (2022). Acta Cryst. F78, 96-112. 
Crystal structure of betaine aldehyde dehydrogenase from Burkholderia pseudomallei. D. K. Beard, S. Subramanian, J. Abendroth, D. M. Dranow, T. E. Edwards, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 45-51. 
Crystal structure of a hypothetical protein from Giardia lamblia. D. K. Beard, S. Bristol, K. Cosby, A. Davis, C. Manning, L. Perry, L. Snapp, A. Toy, K. Wheeler, J. Young, B. Staker, T. L. Arakaki, J. Abendroth, S. Subrahamanian, T. E. Edwards, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 59-65. 
A crystal-processing machine using a deep-ultraviolet laser: application to long-wavelength native SAD experiments. Y. Kawano, M. Hikita, N. Matsugaki, M. Yamamoto & T. Senda (2022). Acta Cryst. F78, 88-95. 
Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor δ in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative. T. Oyama, K. Takiguchi & H. Miyachi (2022). Acta Cryst. F78, 81-87. 
Crystal structure of a short-chain dehydrogenase/reductase from Burkholderia phymatum in complex with NAD. J. Alenazi, S. Mayclin, S. Subramanian, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 52-58. 
Crystal structure of an inorganic pyrophosphatase from Chlamydia trachomatis D/UW-3/Cx. J. Maddy, B. L. Staker, S. Subramanian, J. Abendroth, T. E. Edwards, P. J. Myler, K. Hybiske & O. A. Asojo (2022). Acta Cryst. F78, 135-142. 
Conformational flexibility in the zinc solute-binding protein ZnuA. E. L. Yekwa, F. A. Serrano & E. Yukl (2022). Acta Cryst. F78, 128-134. 
Crystal structure of a hypothetical protein from Giardia lamblia. Corrigendum. D. K. Beard, S. Bristol, K. Cosby, A. Davis, C. Manning, L. Perry, L. Snapp, A. Toy, K. Wheeler, J. Young, B. Staker, T. L. Arakaki, J. Abendroth, S. Subramanian, T. E. Edwards, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 143. 
Crystal structure of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (hROR1). S. R. Guarino, A. Di Bello, M. Palamini, M. C. Capillo & F. Forneris (2022). Acta Cryst. F78, 185-192. 
Expression, purification and crystallization of a novel metagenome-derived salicylaldehyde dehydrogenase from Alpine soil. S. U. Dandare, M. Håkansson, L. A. Svensson, D. J. Timson & C. C. R. Allen (2022). Acta Cryst. F78, 161-169. 
Crystal structure of the ternary complex of Leishmania major pteridine reductase 1 with the cofactor NADP+/NADPH and the substrate folic acid. L. Dello Iacono, F. Di Pisa & S. Mangani (2022). Acta Cryst. F78, 170-176. 
In situ crystal data-collection and ligand-screening system at SPring-8. H. Okumura, N. Sakai, H. Murakami, N. Mizuno, Y. Nakamura, G. Ueno, T. Masunaga, T. Kawamura, S. Baba, K. Hasegawa, M. Yamamoto & T. Kumasaka (2022). Acta Cryst. F78, 241-251. 
Biochemical and crystallization analysis of the CENP-SX–DNA complex. S. Ito & T. Nishino (2022). Acta Cryst. F78, 193-199. 
The structure of Synechococcus elongatus enolase reveals key aspects of phosphoenolpyruvate binding. J. M. González, R. Martí-Arbona, J. C.-H. Chen & C. J. Unkefer (2022). Acta Cryst. F78, 177-184. 
Crystal structure of an extracellular superoxide dismutase from Onchocerca volvulus and implications for parasite-specific drug development. A. Moustafa, M. Perbandt, E. Liebau, C. Betzel & S. Falke (2022). Acta Cryst. F78, 232-240. 
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IUCrJ
High-speed high-resolution data collection on a 200 keV cryo-TEM. J. V. Peck, J. F. Fay & J. D. Strauss (2022). IUCrJ 9, 243-252. 
MicroED: conception, practice and future opportunities. M. T. B. Clabbers, A. Shiriaeva & T. Gonen (2022). IUCrJ 9, 169-179. 
Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging. Y. Zhuang, S. Awel, A. Barty, R. Bean, J. Bielecki, M. Bergemann, B. J. Daurer, T. Ekeberg, A. D. Estillore, H. Fangohr, K. Giewekemeyer, M. S. Hunter, M. Karnevskiy, R. A. Kirian, H. Kirkwood, Y. Kim, J. Koliyadu, H. Lange, R. Letrun, J. Lübke, A. Mall, T. Michelat, A. J. Morgan, N. Roth, A. K. Samanta, T. Sato, Z. Shen, M. Sikorski, F. Schulz, J. C. H. Spence, P. Vagovic, T. Wollweber, L. Worbs, P. L. Xavier, O. Yefanov, F. R. N. C. Maia, D. A. Horke, J. Küpper, N. D. Loh, A. P. Mancuso, H. N. Chapman & K. Ayyer (2022). IUCrJ 9, 204-214. 
Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K. M. Wildner, B. A. Zakharov, N. E. Bogdanov, D. Talla, E. V. Boldyreva & R. Miletich (2022). IUCrJ 9, 194-203. 
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM. G. Chojnowski, A. J. Simpkin, D. A. Leonardo, W. Seifert-Davila, D. E. Vivas-Ruiz, R. M. Keegan & D. J. Rigden (2022). IUCrJ 9, 86-97. 
Preferred orientation and its effects on intensity-correlation measurements. J. Binns, C. Darmanin, C. M. Kewish, S. K. Pathirannahalge, P. Berntsen, P. L. R. Adams, S. Paporakis, D. Wells, F. G. Roque, B. Abbey, G. Bryant, C. E. Conn, S. T. Mudie, A. M. Hawley, T. M. Ryan, T. L. Greaves & A. V. Martin (2022). IUCrJ 9, 231-242. 
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. 
Quantitative analysis of the effect of radiation on mitochondria structure using coherent diffraction imaging with a clustering algorithm. D. Pan, J. Fan, Z. Nie, Z. Sun, J. Zhang, Y. Tong, B. He, C. Song, Y. Kohmura, M. Yabashi, T. Ishikawa, Y. Shen & H. Jiang (2022). IUCrJ 9, 223-230. 
Negative linear compressibility in Se at ultra-high pressure above 120 GPa. S. Yuan, L. Wang, S. Zhu, F. Liu, D. Zhang, V. B. Prakapenka, S. Tkachev & H. Liu (2022). IUCrJ 9, 253-260. 
Formation and stabilization mechanism of mesoscale clusters in solution. S. Zong, J. Wang, X. Huang, H. Wu, Q. Liu & H. Hao (2022). IUCrJ 9, 215-222. 
Static and dynamic components of Debye–Waller coefficients in the novel cubic polymorph of low-temperature disordered Cu2ZnSnS4. E. Isotta, B. Mukherjee, S. Bette, R. Dinnebier & P. Scardi (2022). IUCrJ 9, 272-285. 
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser. Corrigendum. D. Assalauova, Y. Y. Kim, S. Bobkov, R. Khubbutdinov, M. Rose, R. Alvarez, J. Andreasson, E. Balaur, A. Contreras, H. DeMirci, L. Gelisio, J. Hajdu, M. S. Hunter, R. P. Kurta, H. Li, M. McFadden, R. Nazari, P. Schwander, A. Teslyuk, P. Walter, P. L. Xavier, C. H. Yoon, S. Zaare, V. A. Ilyin, R. A. Kirian, B. G. Hogue, A. Aquila & I. A. Vartanyants (2022). IUCrJ 9, 328. 
X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex. G. Selikhanov, T. Fufina, S. Guenther, A. Meents, A. Gabdulkhakov & L. Vasilieva (2022). IUCrJ 9, 261-271. 
Negative linear compressibility at extreme pressure. K. F. Dziubek (2022). IUCrJ 9, 165-166. 
Trends in coordination of rhenium organometallic complexes in the Protein Data Bank. A. Brink, F. J. F. Jacobs & J. R. Helliwell (2022). IUCrJ 9, 180-193. 
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, 867-877. 
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JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
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. 
The FUSION protein crystallization screen. F. Gorrec & D. Bellini (2022). J. Appl. Cryst. 55, 310-319. 
QUANTAS: a Python software for the analysis of thermodynamics and elastic behavior of solids from ab initio quantum mechanical simulations and experimental data. G. Ulian & G. Valdrè (2022). J. Appl. Cryst. 55, 386-396. 
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. 
The very small angle neutron scattering instrument at the National Institute of Standards and Technology. J. Barker, J. Moyer, S. Kline, G. Jensen, J. Cook, C. Gagnon, E. Kelley, J. P. Chabot, N. Maliszewskyj, C. Parikh, W. Chen, R. P. Murphy & C. Glinka (2022). J. Appl. Cryst. 55, 271-283. 
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. 
A drug-discovery-oriented non-invasive protocol for protein crystal cryoprotection by dehydration, with application for crystallization screening. D. Bellini (2022). J. Appl. Cryst. 55, 370-379. 
Efficient solution of particle shape functions for the analysis of powder total scattering data. A. Leonardi, R. Neder & M. Engel (2022). J. Appl. Cryst. 55, 329-339. 
Performance of the new biological small- and wide-angle X-ray scattering beamline 13A at the Taiwan Photon Source. O. Shih, K.-F. Liao, Y.-Q. Yeh, C.-J. Su, C.-A. Wang, J.-W. Chang, W.-R. Wu, C.-C. Liang, C.-Y. Lin, T.-H. Lee, C.-H. Chang, L.-C. Chiang, C.-F. Chang, D.-G. Liu, M.-H. Lee, C.-Y. Liu, T.-W. Hsu, B. Mansel, M.-C. Ho, C.-Y. Shu, F. Lee, E. Yen, T.-C. Lin & U. Jeng (2022). J. Appl. Cryst. 55, 340-352. 
Scipion-ED: a graphical user interface for batch processing and analysis of 3D ED/MicroED data. V. E. G. Bengtsson, L. Pacoste, J. M. de la Rosa-Trevin, G. Hofer, X. Zou & H. Xu (2022). J. Appl. Cryst. 55, 638-646. 
A new library of 3D models and problems for teaching crystallographic symmetry generated through Blender for use with 3D printers or Sketchfab. M. M. Aristov, H. Geng, A. Pavelic & J. F. Berry (2022). J. Appl. Cryst. 55, 172-179. 
Parent grain reconstruction from partially or fully transformed microstructures in MTEX. F. Niessen, T. Nyyssönen, A. A. Gazder & R. Hielscher (2022). J. Appl. Cryst. 55, 180-194. 
Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers. D. Assalauova, A. Ignatenko, F. Isensee, D. Trofimova & I. A. Vartanyants (2022). J. Appl. Cryst. 55, 444-454. 
Teaching and Education highlighted. L. N. Dawe, J. M. García-Ruiz, J. Hajdu, G. J. McIntyre, F. Meilleur & L. Stephenson (2022). J. Appl. Cryst. 55, 215-217. 
Structure evolution of nanodiamond aggregates: a SANS and USANS study. I. I. Kabir, J. C. Osborn, W. Lu, J. P. Mata, C. Rehm, G. H. Yeoh & T. Ersez (2022). J. Appl. Cryst. 55, 353-361. 
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JOURNAL OF
SYNCHROTRON
RADIATION
3D printed devices and infrastructure for liquid sample delivery at the European XFEL. M. Vakili, J. Bielecki, J. Knoška, F. Otte, H. Han, M. Kloos, R. Schubert, E. Delmas, G. Mills, R. de Wijn, R. Letrun, S. Dold, R. Bean, A. Round, Y. Kim, F. A. Lima, K. Dörner, J. Valerio, M. Heymann, A. P. Mancuso & J. Schulz (2022). J. Synchrotron Rad. 29, 331-346. 
A wide-field micro-computed tomography detector: micron resolution at half-centimetre scale. M. A. Yakovlev, D. J. Vanselow, M. S. Ngu, C. R. Zaino, S. R. Katz, Y. Ding, D. Parkinson, S. Y. Wang, K. C. Ang, P. La Riviere & K. C. Cheng (2022). J. Synchrotron Rad. 29, 505-514. 
ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF. M. Nanao, S. Basu, U. Zander, T. Giraud, J. Surr, M. Guijarro, M. Lentini, F. Felisaz, J. Sinoir, C. Morawe, A. Vivo, A. Beteva, M. Oscarsson, H. Caserotto, F. Dobias, D. Flot, D. Nurizzo, J. Gigmes, N. Foos, R. Siebrecht, T. Roth, P. Theveneau, O. Svensson, G. Papp, B. Lavault, F. Cipriani, R. Barrett, C. Clavel & G. Leonard (2022). J. Synchrotron Rad. 29, 581-590. 
Effective coordination numbers from EXAFS: general approaches for lanthanide and actinide dioxides. A. Romanchuk, A. Trigub, T. Plakhova, A. Kuzenkova, R. Svetogorov, K. Kvashnina & S. Kalmykov (2022). J. Synchrotron Rad. 29, 288-294. 
A cell design for correlative hard X-ray nanoprobe and electron microscopy studies of catalysts under in situ conditions. J. E. Parker, M. Gomez-Gonzalez, Y. Van Lishout, H. Islam, D. Duran Martin, D. Ozkaya, P. D. Quinn & M. E. Schuster (2022). J. Synchrotron Rad. 29, 431-438. 
High-speed free-run ptychography at the Australian Synchrotron. M. W. M. Jones, G. A. van Riessen, N. W. Phillips, C. E. Schrank, G. N. Hinsley, N. Afshar, J. Reinhardt, M. D. de Jonge & C. M. Kewish (2022). J. Synchrotron Rad. 29, 480-487. 
Generating coherent and ultrashort X-ray pulses via HHG-seeding in storage rings. Y. Lu, C. Feng, L. Tu, C. Li, B. Jiang & D. Wang (2022). J. Synchrotron Rad. 29, 347-354. 
Trapezoid-kinoform zone plate lens – a solution for efficient focusing in hard X-ray optics. X. Tong, Y. Chen, Z. Xu, Y. Li, Z. Xing, C. Mu, J. Zhao, X. Zhen, C. Mao & R. Tai (2022). J. Synchrotron Rad. 29, 386-392. 
Fast and noise-tolerant determination of the center of rotation in tomography. E. Vacek & C. Jacobsen (2022). J. Synchrotron Rad. 29, 488-495. 
Implementation of wedged-serial protein crystallography at PROXIMA-1. I. Chaussavoine, T. Isabet, R. Lener, P. Montaville, R. Vasireddi & L. M. G. Chavas (2022). J. Synchrotron Rad. 29, 439-446. 
Operational status of the X-ray powder diffraction beam­line at the SESAME synchrotron. M. Abdellatief, M. A. Najdawi, Y. Momani, B. Aljamal, A. Abbadi, M. Harfouche & G. Paolucci (2022). J. Synchrotron Rad. 29, 532-539. 
I21: an advanced high-resolution resonant inelastic X-ray scattering beamline at Diamond Light Source. K.-J. Zhou, A. Walters, M. Garcia-Fernandez, T. Rice, M. Hand, A. Nag, J. Li, S. Agrestini, P. Garland, H. Wang, S. Alcock, I. Nistea, B. Nutter, N. Rubies, G. Knap, M. Gaughran, F. Yuan, P. Chang, J. Emmins & G. Howell (2022). J. Synchrotron Rad. 29, 563-580. 
SAXS study of the formation and structure of polynuclear thorium(IV) colloids and thorium dioxide nanoparticles. B. Zhai, Q. Tian, N. Li, M. Yan & M. J. Henderson (2022). J. Synchrotron Rad. 29, 281-287. 
Visualizing the valence states of europium ions in Eu-doped BaAl2O4 using X-ray nanoprobe mapping. Y.-H. Wu, Y.-Y. Lin, J.-L. Chen, S.-Y. Fu, S.-C. Huang, C. - Lee, B.-Y. Chen, G.-C. Yin, E.-W. Huang, M.-T. Tang & B.-H. Lin (2022). J. Synchrotron Rad. 29, 456-461. 
From EXAFS of reference compounds to U(VI) speciation in contaminated environments. A. Krot, I. Vlasova, A. Trigub, A. Averin, V. Yapaskurt & S. Kalmykov (2022). J. Synchrotron Rad. 29, 303-314. 
Using diffraction losses of X-rays in a single crystal for determination of its lattice parameters as well as for monochromator calibration. N. Klimova, I. Snigireva, A. Snigirev & O. Yefanov (2022). J. Synchrotron Rad. 29, 369-376. 
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IUCrData
2-Hy­droxy­benzenaminium acetate. N. Moussa Slimane, N. Benarous, H. Bougueria & A. Cherouana (2022). IUCrData 7, x220112. 
Bis[1,2-bis­(4-chloro­phen­yl)­ethyl­ene-1,2-dithiol­ato(1–)]nickel(II). S. Koehne, B. Mirmelli, J. T. Mague & J. P. Donahue (2022). IUCrData 7, x220148. 
Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(sulfanedi­yl)}tetra­acetato)­disilver(I)] 5.2-hydrate]. J. Pacifico & H. Stoeckli-Evans (2022). IUCrData 7, x220077. 
trans-Bis(4-amino­pyridine-κN)bis­(quin­ox­aline-2,3-di­thiol­ato-κ2S,S′)platinum(IV) dimethyl sulfoxide monosolvate. J. Hu, V. V. Nesterov & B. W. Smucker (2022). IUCrData 7, x220101. 
Ethyl 10-cyano-7-hy­droxy-6-oxo-3-phenyl-8,9,10,10a-tetra­hydro-6H-benzo[c]chromene-10-carboxyl­ate. H. Surya Prakash Rao, P. M & J. Muthukumaran (2022). IUCrData 7, x220199. 
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. 
13,13′-Bi(dibenzo[a,i]fluorenyl­idene). D. Schollmeyer & H. Detert (2022). IUCrData 7, x220169. 
5-Phenyl-3-(2-phosphono­eth­yl)-1,2,3-triazol-1-ium chloride. E. Chachlaki, D. Choquesillo-Lazarte & K. D. Demadis (2022). IUCrData 7, x220189. 
N-(4-Hy­droxy-2-nitro­phen­yl)acetamide. J. E. Hines III, C. J. Deere, F. R. Fronczek & R. M. Uppu (2022). IUCrData 7, x220201. 
Bis(2-amino­benzimidazolium) sulfate monohydrate. A. Peña Hueso, A. Esparza Ruiz & A. Flores Parra (2022). IUCrData 7, x220172. 
Bis(2-amino-3,5-di­chloro­pyridinium) hexa­chlorido­stannate(IV) dihydrate. R. Ghallab, H. Bougueria & H. Merazig (2022). IUCrData 7, x220191. 
4-Amidino­pyridinium hexa­chlorido­stannate(IV) dihydrate. R. Ghallab, H. Bougueria & H. Merazig (2022). IUCrData 7, x220195. 
1-(Methyl-α-D-gluco­pyran­osid-6-yl)-3-vinyl­imidazolium iodide di­methyl­formamide monosolvate. S. Lambrecht, A. Villinger & S. Jopp (2022). IUCrData 7, x220265. 
([2.2.2]Cryptand)potassium (4-methyl­benzene­thiol­ato)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyr­inato]manganate(II) tetra­hydro­furan disolvate. Y. Yuan & J. Li (2022). IUCrData 7, x220241. 
catena-Poly[oxidanium [tris{μ-[amino(iminio)methyl]phosphonato}zincate(II)]]. E. Chachlaki, D. Choquesillo-Lazarte & K. D. Demadis (2022). IUCrData 7, x220247. 
Tetra-μ-acetato-κ8O:O′-bis­[(3-chloro­pyridine-κN)ruthenium(II,III)](Ru—Ru) hexa­fluorido­phosphate 1,2-di­chloro­ethane monosolvate. A. J. Aquino, D. Gerrior, T. S. Cameron, K. N. Robertson & M. A. S. Aquino (2022). IUCrData 7, x220249. 
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