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 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. 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. 
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. 
The Fourier transform of a coiled-coil. F. H. C. Crick (1953). Acta Cryst. 6, 685-689. 
The crystal structure of ferrocene. J. D. Dunitz, L. E. Orgel & A. Rich (1956). Acta Cryst. 9, 373-375. 
The structure of graphitic carbons. R. E. Franklin (1951). Acta Cryst. 4, 253-261. 
Max von Laue, 1879-1960. P. P. Ewald (1960). Acta Cryst. 13, 513-515. 
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 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. 
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FOUNDATIONS
ADVANCES
Thermodynamics of lattice vibrations in non-cubic crystals: the zinc structure revisited. R. Tomaschitz (2021). Acta Cryst. A77, 420-432. 
Quaternions: what are they, and why do we need to know?. B. K. P. Horn (2020). Acta Cryst. A76, 556-558. 
Relativistic spacetime crystals. V. Gopalan (2021). Acta Cryst. A77, 242-256. 
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. 
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. 
On incoherent diffractive imaging. L. M. Lohse, M. Vassholz & T. Salditt (2021). Acta Cryst. A77, 480-496. 
Moiré, Euler and self-similarity – the lattice parameters of twisted hexagonal crystals. M. Feuerbacher (2021). Acta Cryst. A77, 460-471. 
The role of an objective function in the mathematical modelling of wide-angle X-ray diffraction curves of semi-crystalline polymers. M. Rabiej & S. Rabiej (2021). Acta Cryst. A77, 534-547. 
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. 
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. 
Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering. K. Lyon & J. Rusz (2021). Acta Cryst. A77, 509-518. 
On the centennials of the discoveries of the hydrogen bond and the structure of the water molecule: the short life and work of Eustace Jean Cuy (1897–1925). Z. S. Derewenda (2021). Acta Cryst. A77, 362-378. 
The quaternion-based spatial-coordinate and orientation-frame alignment problems. A. J. Hanson (2020). Acta Cryst. A76, 432-457. 
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. 
Experimental observation of carousel-like phason flips in the decagonal quasicrystal Al60Cr20Fe10Si10. Z. He, J.-L. Maurice, H. Ma, Y. Wang, H. Li, T. Zhang, X. Ma & W. Steurer (2021). Acta Cryst. A77, 355-361. 
From crystal color symmetry to quantum spacetime. M. Bojowald & A. Saxena (2021). Acta Cryst. A77, 239-241. 
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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. 
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 copper perchlorophthalo­cyanine analysed by 3D electron diffraction. T. E. Gorelik, S. Habermehl, A. A. Shubin, T. Gruene, K. Yoshida, P. Oleynikov, U. Kaiser & M. U. Schmidt (2021). Acta Cryst. B77, 662-675. 
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. 
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. 
Structure of boehmite-derived γ-alumina and its transformation mechanism revealed by electron crystallography. Z. Luo (2021). Acta Cryst. B77, 772-784. 
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. 
Quo vadis, quantum crystallography?. J. M. Gillet & P. Macchi (2021). Acta Cryst. B77, 862-864. 
Mg(H2O)2[TeO2(OH)4]: a polytypic structure with a two-mode disordered stacking arrangement. B. Stöger, H. Krüger & M. Weil (2021). Acta Cryst. B77, 605-623. 
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. 
Interpreting the different emissive properties of cyclic tri­imidazole-based CuI and AgI coordination polymers: a QTAIM and IQA study. A. Forni, E. Cariati, L. Carlucci, E. Lucenti, D. Marinotto, S. Pieraccini & M. Sironi (2021). Acta Cryst. B77, 865-870. 
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. 
Low-temperature crystal structure of the unconventional spin-triplet superconductor UTe2 from single-crystal neutron diffraction. V. Hutanu, H. Deng, S. Ran, W. T. Fuhrman, H. Thoma & N. P. Butch (2020). Acta Cryst. B76, 137-143. 
Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments. F. Kleemiss, P. Puylaert, D. Duvinage, M. Fugel, K. Sugimoto, J. Beckmann & S. Grabowsky (2021). Acta Cryst. B77, 892-905. 
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. 
The mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate from di­methyl sulfoxide solvate to form D. Z. Zheng, B. Hou, X. Cheng, W. Liu, X. Huang, Y. Bao, T. Wang, Z. Wang & H. Hao (2020). Acta Cryst. B76, 343-352. 
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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. 
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. 
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. 
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. 
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. 
Synthesis, structure and magnetocaloric properties of a new two-dimensional gadolinium(III) coordination polymer based on azo­benzene-2,2′,3,3′-tetra­carb­oxy­lic acid. W.-W. Wei, L.-P. Lu, S.-S. Feng, M.-L. Zhu & U. Englert (2021). Acta Cryst. C77, 591-598. 
Approximate symmetry in the third reported structure of a metal complex of L-DOPA. C. P. Brock (2021). Acta Cryst. C77, 441-442. 
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. 
Selected solid-state behaviour of three di-tert-butyl-substituted N-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour. H. E. Mason, J. A. K. Howard & H. A. Sparkes (2021). Acta Cryst. C77, 659-667. 
Improving the solubility of berberine. J. A. Fernandes (2020). Acta Cryst. C76, 117. 
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. 
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. 
Tolerance factor and phase stability of the garnet structure. Corrigendum. Z. Song, D. Zhou & Q. Liu (2020). Acta Cryst. C76, 311. 
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. 
Synthesis and characterization of enanti­opure planar–chiral phospho­rus-linked diferrocenes. P. Honegger, A. Roller & M. Widhalm (2021). Acta Cryst. C77, 152-160. 
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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. 
How do I get the most out of my protein sequence using bioinformatics tools?. J. Pereira & V. Alva (2021). Acta Cryst. D77, 1116-1126. 
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. 
Validation, analysis and annotation of cryo-EM structures. G. Pintilie & W. Chiu (2021). Acta Cryst. D77, 1142-1152. 
Determination of intracellular protein–ligand binding affinity by competition binding in-cell NMR. E. Luchinat, L. Barbieri, M. Cremonini, M. Pennestri, A. Nocentini, C. T. Supuran & L. Banci (2021). Acta Cryst. D77, 1270-1281. 
CCD2: design constructs for protein expression, the easy way. A. G. Murachelli, G. Damaskos & A. Perrakis (2021). Acta Cryst. D77, 992-1000. 
Ten things I `hate' about refinement. P. Roversi & D. E. Tronrud (2021). Acta Cryst. D77, 1497-1515. 
Using photocaging for fast time-resolved structural biology studies. D. C. F. Monteiro, E. Amoah, C. Rogers & A. R. Pearson (2021). Acta Cryst. D77, 1218-1232. 
Cryo-EM single-particle structure refinement and map calculation using Servalcat. K. Yamashita, C. M. Palmer, T. Burnley & G. N. Murshudov (2021). Acta Cryst. D77, 1282-1291. 
Implications of AlphaFold2 for crystallographic phasing by molecular replacement. A. J. McCoy, M. D. Sammito & R. J. Read (2022). Acta Cryst. D78, 1-13. 
The three-dimensional structure of Drosophila melanogaster (6–4) photolyase at room temperature. A. Cellini, W. Yuan Wahlgren, L. Henry, S. Pandey, S. Ghosh, L. Castillon, E. Claesson, H. Takala, J. Kübel, A. Nimmrich, V. Kuznetsova, E. Nango, S. Iwata, S. Owada, E. A. Stojković, M. Schmidt, J. A. Ihalainen & S. Westenhoff (2021). Acta Cryst. D77, 1001-1009. 
Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. A. Metz, J. Wollenhaupt, S. Glöckner, N. Messini, S. Huber, T. Barthel, A. Merabet, H.-D. Gerber, A. Heine, G. Klebe & M. S. Weiss (2021). Acta Cryst. D77, 1168-1182. 
Mycobacterium tuberculosis ferritin: a suitable workhorse protein for cryo-EM development. A. Gijsbers, Y. Zhang, Y. Gao, P. J. Peters & R. B. G. Ravelli (2021). Acta Cryst. D77, 1077-1083. 
eSPC: an online data-analysis platform for molecular biophysics. O. Burastero, S. Niebling, L. A. Defelipe, C. Günther, A. Struve & M. M. Garcia Alai (2021). Acta Cryst. D77, 1241-1250. 
On-grid and in-flow mixing for time-resolved cryo-EM. D. P. Klebl, H. D. White, F. Sobott & S. P. Muench (2021). Acta Cryst. D77, 1233-1240. 
Industrial cryo-EM facility setup and management. K. Sader, R. Matadeen, P. Castro Hartmann, T. Halsan & C. Schlichten (2020). Acta Cryst. D76, 313-325. 
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CRYSTALLOGRAPHIC
COMMUNICATIONS
Space groups and crystallographic symmetry: writing a multi-featured tutorial in a new style. B. M. Foxman (2021). Acta Cryst. E77, 857-863. 
Teaching space-group diagrams to chemistry students through a peer-tutoring approach. S.-L. Zheng & M. G. Campbell (2021). Acta Cryst. E77, 864-866. 
Two polymorphs of [Rh(μ-I)(COD)]2. D. R. Ullery, C. E. Moore & C. M. Thomas (2021). Acta Cryst. E77, 871-874. 
Norpsilocin: freebase and fumarate salt. A. R. Chadeayne, D. N. K. Pham, J. A. Golen & D. R. Manke (2020). Acta Cryst. E76, 589-593. 
Practical hints and tips for solution of pseudo-merohedric twins: three case studies. S. R. Parkin (2021). Acta Cryst. E77, 452-465. 
Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands. S. T. Frey, J. G. Ballot, A. Hands, H. A. Cirka, K. C. Rinaolo, N. N. Phalkun, M. Kaur & J. P. Jasinski (2021). Acta Cryst. E77, 982-988. 
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. 
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. 
Crystal structure of nafamostat dimesylate. I. Fujii (2021). Acta Cryst. E77, 999-1002. 
Crystal structure of [Th3(Cp*)3(O)(OH)3]2Cl2(N3)6: a discrete mol­ecular capsule built from multinuclear organothorium cluster cations. S. P. Kelley, P. Rungthanaphatsophon & J. R. Walensky (2021). Acta Cryst. E77, 971-974. 
Crystal structure, Hirshfeld surface and photo­physical analysis of 2-nitro-3-phenyl-9H-carbazole. N. Singh, G. H. Noh, H.-R. Park & J. Lee (2021). Acta Cryst. E77, 887-890. 
Synthesis and structure determination of racemic (Δ/Λ)-tris­(ethyl­enedi­amine)­cobalt(III) trichloride hemi(hexa­aqua­sodium chloride). L. H. Conrad-Marut, E. W. Reinheimer & A. R. Johnson (2021). Acta Cryst. E77, 1010-1013. 
Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one. S. Daoui, I. Muwafaq, E. B. Çınar, A. Abudunia, N. Dege, N. Benchat & K. Karrouchi (2022). Acta Cryst. E78, 8-11. 
Crystal structures of phosphine-supported (η5-cyclo­penta­dien­yl)molybdenum(II) propionyl complexes. M. T. Whited, M. A. Ball, A. Block, B. A. Brewster, L. L. Ferrer, H. J. Jin-Lee, C. J. King, J. D. North, I. L. Shelton & D. G. Wilson (2021). Acta Cryst. E77, 912-918. 
Crystal structure and Hirshfeld surface analysis study of (E)-1-(4-chloro­phen­yl)-N-(4-ferrocenylphen­yl)methanimine. R. Sghyar, O. Moussaoui, N. K. Sebbar, Y. Ait Elmachkouri, E. Irrou, T. Hökelek, J. T. Mague, A. Bentama & E. M. El hadrami (2021). Acta Cryst. E77, 875-879. 
Structural features of the oxidonitridophosphates K3MIII(PO3)3N (MIII = Al, Ga). I. V. Zatovsky, I. V. Ogorodnyk, V. N. Baumer, I. D. Zhilyak, R. V. Horda & N. Y. Strutynska (2021). Acta Cryst. E77, 1213-1218. 
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STRUCTURAL BIOLOGY
COMMUNICATIONS
Topical Reviews in Acta Crystallographica F Structural Biology Communications. J. R. Helliwell, J. Newman & M. J. van Raaij (2021). Acta Cryst. F77, 385. 
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. 
The crystal structures of the enzyme hydroxymethylbilane synthase, also known as porphobilinogen deaminase. J. R. Helliwell (2021). Acta Cryst. F77, 388-398. 
Crystal structure of the [2Fe–2S] protein I (Shethna protein I) from Azotobacter vinelandii. B. V. Kabasakal, C. A. R. Cotton & J. W. Murray (2021). Acta Cryst. F77, 407-411. 
Room-temperature neutron and X-ray data collection of 3CL Mpro from SARS-CoV-2. D. W. Kneller, G. Phillips, A. Kovalevsky & L. Coates (2020). Acta Cryst. F76, 483-487. 
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. 
Enhanced X-ray diffraction of in vivo-grown μNS crystals by viscous jets at XFELs. N. Nagaratnam, Y. Tang, S. Botha, J. Saul, C. Li, H. Hu, S. Zaare, M. Hunter, D. Lowry, U. Weierstall, N. Zatsepin, J. C. H. Spence, J. Qiu, J. LaBaer, P. Fromme & J. M. Martin-Garcia (2020). Acta Cryst. F76, 278-289. 
Finding order in chaos – nanocrystals in amorphous protein gels. M. W. Bowler (2021). Acta Cryst. F77, 386-387. 
Biochemical and biophysical characterization of the OXA-48-like carbapenemase OXA-436. B. A. Lund, A. M. Thomassen, T. J. W. Carlsen & H.-K. S. Leiros (2021). Acta Cryst. F77, 312-318. 
Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites. N. Mohamad, A. O'Donoghue, A. L. Kantsadi & I. Vakonakis (2021). Acta Cryst. F77, 262-268. 
Structural characterization of DynU16, a START/Bet v1-like protein involved in dynemicin biosynthesis. S. K. Alvarado, M. D. Miller, M. Bhardwaj, J. S. Thorson, S. G. Van Lanen & G. N. Phillips Jr (2021). Acta Cryst. F77, 328-333. 
The identification and structural analysis of potential 14-3-3 interaction sites on the bone regulator protein Schnurri-3. L. Soini, S. Leysen, T. Crabbe, J. Davis & C. Ottmann (2021). Acta Cryst. F77, 254-261. 
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. 
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. 
Conformational changes of loops highlight a potential binding site in Rhodococcus equi VapB. C. Geerds, A. Haas & H. H. Niemann (2021). Acta Cryst. F77, 246-253. 
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. 
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IUCrJ
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. 
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, 878-895. 
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. 
virusMED: an atlas of hotspots of viral proteins. H. Zhang, P. Chen, H. Ma, M. Woińska, D. Liu, D. R. Cooper, G. Peng, Y. Peng, L. Deng, W. Minor & H. Zheng (2021). IUCrJ 8, 931-942. 
John C. H. Spence (1946–2021). H. N. Chapman, S. S. Hasnain & U. Weierstall (2021). IUCrJ 8, 705-708. 
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. 
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. 
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser. K. Nass, C. Bacellar, C. Cirelli, F. Dworkowski, Y. Gevorkov, D. James, P. J. M. Johnson, D. Kekilli, G. Knopp, I. Martiel, D. Ozerov, A. Tolstikova, L. Vera, T. Weinert, O. Yefanov, J. Standfuss, S. Reiche & C. J. Milne (2021). IUCrJ 8, 905-920. 
Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection. J. A. Clinger, D. W. Moreau, M. J. McLeod, T. Holyoak & R. E. Thorne (2021). IUCrJ 8, 784-792. 
Experimental evidence for the benefits of higher X-ray energies for macromolecular crystallography. S. L. S. Storm, D. Axford & R. L. Owen (2021). IUCrJ 8, 896-904. 
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. 
Differences in thermal expansion and motion ability for herringbone and face-to-face π-stacked solids. X. Ding, E. Zahid, D. K. Unruh & K. M. Hutchins (2022). IUCrJ 9, 31-42. 
Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography. D. W. Kneller, Q. Zhang, L. Coates, J. M. Louis & A. Kovalevsky (2021). IUCrJ 8, 973-979. 
Hard X-ray nanoprobe scanner. J. Yamada, I. Inoue, T. Osaka, T. Inoue, S. Matsuyama, K. Yamauchi & M. Yabashi (2021). IUCrJ 8, 713-718. 
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. 
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. 
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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. 
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. 
X-ray powder diffraction in education. Part I. Bragg peak profiles. R. Dinnebier & P. Scardi (2021). J. Appl. Cryst. 54, 1811-1831. 
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. 
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. 
Data reduction for serial crystallography using a robust peak finder. M. Hadian-Jazi, A. Sadri, A. Barty, O. Yefanov, M. Galchenkova, D. Oberthuer, D. Komadina, W. Brehm, H. Kirkwood, G. Mills, R. de Wijn, R. Letrun, M. Kloos, M. Vakili, L. Gelisio, C. Darmanin, A. P. Mancuso, H. N. Chapman & B. Abbey (2021). J. Appl. Cryst. 54, 1360-1378. 
An electric field cell for performing in situ single-crystal synchrotron X-ray diffraction. L. K. Saunders, H. H.-M. Yeung, M. R. Warren, P. Smith, S. Gurney, S. F. Dodsworth, I. J. Vitorica-Yrezabal, A. Wilcox, P. V. Hathaway, G. Preece, P. Roberts, S. A. Barnett & D. R. Allan (2021). J. Appl. Cryst. 54, 1349-1359. 
Grazing-incidence X-ray diffraction tomography for characterizing organic thin films. E. H. R. Tsai, Y. Xia, M. Fukuto, Y.-L. Loo & R. Li (2021). J. Appl. Cryst. 54, 1327-1339. 
Validation of the Crystallography Open Database using the Crystallographic Information Framework. A. Vaitkus, A. Merkys & S. Gražulis (2021). J. Appl. Cryst. 54, 661-672. 
GPU-accelerated multitiered iterative phasing algorithm for fluctuation X-ray scattering. P. R. Kommera, V. Ramakrishnaiah, C. Sweeney, J. Donatelli & P. H. Zwart (2021). J. Appl. Cryst. 54, 1179-1188. 
Small-angle scattering for beginners. C. J. Gommes, S. Jaksch & H. Frielinghaus (2021). J. Appl. Cryst. 54, 1832-1843. 
Real-space modeling for complex structures based on small-angle X-ray scattering. K. Omote & T. Iwata (2021). J. Appl. Cryst. 54, 1290-1297. 
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. 
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JOURNAL OF
SYNCHROTRON
RADIATION
Chemical state mapping of simulant Chernobyl lava-like fuel containing material using micro-focused synchrotron X-ray spectroscopy. H. Ding, M. C. Dixon Wilkins, L. M. Mottram, L. R. Blackburn, D. Grolimund, R. Tappero, S. L. Nicholas, S. Sun, C. L. Corkhill & N. C. Hyatt (2021). J. Synchrotron Rad. 28, 1672-1683. 
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. 
The High Energy Density Scientific Instrument at the European XFEL. U. Zastrau, K. Appel, C. Baehtz, O. Baehr, L. Batchelor, A. Berghäuser, M. Banjafar, E. Brambrink, V. Cerantola, T. E. Cowan, H. Damker, S. Dietrich, S. Di Dio Cafiso, J. Dreyer, H.-O. Engel, T. Feldmann, S. Findeisen, M. Foese, D. Fulla-Marsa, S. Göde, M. Hassan, J. Hauser, T. Herrmannsdörfer, H. Höppner, J. Kaa, P. Kaever, K. Knöfel, Z. Konôpková, A. Laso García, H.-P. Liermann, J. Mainberger, M. Makita, E.-C. Martens, E. E. McBride, D. Möller, M. Nakatsutsumi, A. Pelka, C. Plueckthun, C. Prescher, T. R. Preston, M. Röper, A. Schmidt, W. Seidel, J.-P. Schwinkendorf, M. O. Schoelmerich, U. Schramm, A. Schropp, C. Strohm, K. Sukharnikov, P. Talkovski, I. Thorpe, M. Toncian, T. Toncian, L. Wollenweber, Sh. Yamamoto & T. Tschentscher (2021). J. Synchrotron Rad. 28, 1393-1416. 
Beam heating from a fourth-generation synchrotron source. E. Lawrence Bright, C. Giacobbe & J. P. Wright (2021). J. Synchrotron Rad. 28, 1377-1385. 
PyPhase – a Python package for X-ray phase imaging. M. Langer, Y. Zhang, D. Figueirinhas, J.-B. Forien, K. Mom, C. Mouton, R. Mokso & P. Villanueva-Perez (2021). J. Synchrotron Rad. 28, 1261-1266. 
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. 
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. 
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. 
NanoMAX: the hard X-ray nanoprobe beamline at the MAX IV Laboratory. U. Johansson, D. Carbone, S. Kalbfleisch, A. Björling, M. Kahnt, S. Sala, T. Stankevic, M. Liebi, A. Rodriguez Fernandez, B. Bring, D. Paterson, K. Thånell, P. Bell, D. Erb, C. Weninger, Z. Matej, L. Roslund, K. Åhnberg, B. Norsk Jensen, H. Tarawneh, A. Mikkelsen & U. Vogt (2021). J. Synchrotron Rad. 28, 1935-1947. 
Serial crystallography using automated drop dispensing. Z. Su, J. Cantlon, L. Douthit, M. Wiedorn, S. Boutet, J. Kern, C. H. Yoon & D. DePonte (2021). J. Synchrotron Rad. 28, 1386-1392. 
Radiation damage to biological samples: still a pertinent issue. E. F. Garman & M. Weik (2021). J. Synchrotron Rad. 28, 1278-1283. 
The HARE chip for efficient time-resolved serial synchrotron crystallography. P. Mehrabi, H. M. Müller-Werkmeister, J.-P. Leimkohl, H. Schikora, J. Ninkovic, S. Krivokuca, L. Andriček, S. W. Epp, D. Sherrell, R. L. Owen, A. R. Pearson, F. Tellkamp, E. C. Schulz & R. J. D. Miller (2020). J. Synchrotron Rad. 27, 360-370. 
ID15A at the ESRF – a beamline for high speed operando X-ray diffraction, diffraction tomography and total scattering. G. B. M. Vaughan, R. Baker, R. Barret, J. Bonnefoy, T. Buslaps, S. Checchia, D. Duran, F. Fihman, P. Got, J. Kieffer, S. A. J. Kimber, K. Martel, C. Morawe, D. Mottin, E. Papillon, S. Petitdemange, A. Vamvakeros, J.-P. Vieux & M. Di Michiel (2020). J. Synchrotron Rad. 27, 515-528. 
A SAXS-based approach to rationally evaluate radical scavengers – toward eliminating radiation damage in solution and crystallographic studies. T. R. Stachowski, M. E. Snell & E. H. Snell (2021). J. Synchrotron Rad. 28, 1309-1320. 
Measurement of the coherent beam properties at the CoSAXS beamline. M. Kahnt, K. Klementiev, V. Haghighat, C. Weninger, T. S. Plivelic, A. E. Terry & A. Björling (2021). J. Synchrotron Rad. 28, 1948-1953. 
Respect the synchrotron beam strength: how to model it, measure it and mitigate it for various scientific fields. J. R. Helliwell (2021). J. Synchrotron Rad. 28, 1275-1277. 
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IUCrData
Poly[octa­carbonyl­heptakis­(tetra­hydro­furan)­diironmanganesedisodium(2 Mn—Fe)]. G. N. Harakas & B. R. Whittlesey (2021). IUCrData 6, x210845. 
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. 
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. 
(E)-2-(3,5-Di­meth­oxy­benzyl­idene)indan-1-one. E. Encarnacion-Thomas, R. D. Sommer, A. Mallia & J. Sloop (2020). IUCrData 5, x200759. 
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. 
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. 
trans-Bis[8-(benzyl­sulfan­yl)quinoline-κ2N,S]di­chlorido­cobalt(II). S. Kodama, K. Bunno, A. Nomoto & A. Ogawa (2021). IUCrData 6, x210992. 
(Cobaltoceniumyl­amido)­pyridinium hexa­fluorido­phosphate. D. Menia, T. Höfer, K. Wurst & B. Bildstein (2021). IUCrData 6, x210460. 
Bis(N-adamantyl-N′-ethyl­imidazolium) tetra­bromido­manganate(II). N. O. Giltzau & M. Köckerling (2020). IUCrData 5, x200261. 
Crystal structure of the Al20Mn5.37Ni1.31 phase in the Al–Mn–Ni system. Q. Hu, B. Wen & C. Fan (2021). IUCrData 6, x210981. 
(Chlorido/bromido)[(1,2,5,6-η)-cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)rhodium(I). J. Rushlow, A. V. Astashkin, D. R. Albert & E. Rajaseelan (2021). IUCrData 6, x210811. 
Nitro­sonium tetra­fluorido­borate, NOBF4. M. Lozinšek (2021). IUCrData 6, x211215. 
(E)-Benzyl 2-{4-[eth­yl(2-hy­droxy­eth­yl)amino]­benzyl­idene}hydrazinecarbodi­thio­ate. H. Guo, W. Du & H. Zhou (2021). IUCrData 6, x210901. 
(4-Benzyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane-κP)iridium(I) tetra­fluorido­borate. E. B. Newman, A. V. Astashkin, D. R. Albert & E. Rajaseelan (2021). IUCrData 6, x210836. 
Hexa­aquadodeca-μ2-chlorido-octa­hedro-hexa­niobium diiodide. F. Schröder & M. Köckerling (2021). IUCrData 6, x210696. 
2,6-Di­amino-4-chloro­pyrimidine–succinic acid (2/1). N. Chakkarapani, S. Murugan, A. R. Ibrahim, S. J. Kavitha, M. Hemamalini & V. Rajakannan (2020). IUCrData 5, x201239. 
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