journal menunotes for authors
1. Aims and scope
Acta Crystallographica Section F is a rapid structural biology communications journal. It aims to publish structural biology results of scientific significance and methods/software advances from all current and new structural biology techniques, including X-ray, neutron and electron crystallography, and also NMR spectroscopy, electron microscopy and SAXS. Reporting of methods and results using computational approaches (such as molecular dynamics, quantum mechanics/molecular mechanics and DFT), when used in the context of structural data are also encouraged.
Communications on any aspect of structural biology, including experimental methods and techniques, structures determined using high-throughput methods or from iterative studies such as those used in the pharmaceutical industry, are welcomed by the journal. Reported structures should be of macromolecules that have significant biological interest, or be significant improvements of previous structures. These improvements may be in terms of resolution, precision or a new crystal form being more easy to use for soaking experiments or similar. Structures with bound ligands should include an argument as to why the ligand provides new scientific insights or may lead to interesting application(s).
Communications describing preliminary results on macromolecules or complexes (production and crystallization, preliminary spectra, biochemical characterization, high-resolution images or similar) are also welcomed, particularly those likely to have novel folds, or if the method used to produce the preliminary results has novel aspects that may also be applicable to other macromolecules.
The journal offers the option of open access and all communications benefit from unlimited free use of colour illustrations and no page charges. Authors are encouraged to submit multimedia content for publication with their articles. Acta Cryst. F has a dedicated online tool called publBio that is designed to make the preparation and submission of manuscripts easier for authors.
2. Categories of contributions
Communications should aim to contain 3000 words or less and thus occupy a maximum of four journal pages, although this is not a strict limit if the information content of the manuscript warrants a longer paper. Typical articles may be viewed by going to https://journals.iucr.org/f/issues/sample/.
2.1. Research Communications
These are short focused articles and can describe any aspect of structural biology.
For articles that describe the determination of biological structures, details of data requirements can be found at in Section 5![[link]](../../../../../../logos/arrows/f_arr.gif)
below.
2.2. Methods Communications
These are brief descriptions of special methods, equipment modifications, techniques for accomplishing certain tasks related to any area of structural biology, including but not limited to sample production, crystallization, imaging, diffraction data collection, data processing and structure visualization. Multimedia files are especially welcomed for these contributions.
Articles describing the crystallization of a biological macromolecule should include novel aspects of the crystallization procedure. They should cover expression, purification and crystallization of a macromolecule, and the validation of crystal quality, including a presentation of the diffraction data statistics. Evidence of the identity of the crystallized macromolecule is also required.
2.3. Topical Reviews
These are short reviews (6000 words maximum) that aim to capture the current trend of a field or subfield. They may treat a broad topic concisely or a more narrow topic in greater detail.
2.4. Letters to the Editor
These may deal with any aspect of crystallography, its role, its propagation or the proper function of its Societies etc. They may also deal with a technical or scientific observation that would usefully be brought to a wider audience. They can also be used as a means of post-publication discussion. Letters should be submitted to one of the Section Editors.
2.5. Scientific Comment
Comments of general scientific interest to the readership are welcomed. These should not normally exceed two journal pages.
3. Submission and handling of articles
3.1. Submission
Articles should be submitted via the web at https://journals.iucr.org/f/services/submit.html or via publBio at https://publbio.iucr.org.
Full details of the submission procedure, instructions for submitting an article and details of the files required are given at https://journals.iucr.org/f/services/submitinstructions.html. All authors are encouraged to use the Word templates available from https://journals.iucr.org/services/wordstyle.html. Alternatively, authors may use the the publBio publication tool to prepare and submit their article (see https://journals.iucr.org/f/services/publbiosubmission.html).
For structural articles, appropriate supporting information for each structure reported should be provided during submission (see Section 5).
A single author (the submitting author) should handle the submission of the article and be the contact for any editorial questions during the review and publication processes. The submitting author should provide an e-mail address. The published article may have one or more authors (correspondence authors) who are responsible for communications after publication and are marked with an asterisk in the published article. All authors are strongly encouraged to provide an ORCiD iD during submission.
All submissions should be accompanied by a covering letter that explains the significance of the work reported. During submission authors will be encouraged to provide a tweet about their article for use on publication; twitter handles for departments, institutions etc. will also be requested.
3.2. File format
For articles not produced using publBio, the text, tables, figures and figure captions should be supplied as a single file in Word or OpenDocument format. For all articles, each figure or scheme should also be provided as a high-resolution graphics file (minimum 600 d.p.i.) in TIFF, PostScript, encapsulated PostScript, JPEG or PNG format. Supporting information should be provided in one of the formats listed at https://journals.iucr.org/services/filetypes.html.
3.3. Handling of articles
Each article is handled by an editor (Co-editor or Section Editor) chosen by the author from a list of those available at the time of submission. Authors should choose an editor whose area of expertise most closely matches the subject of the article. Details of the current Editorial Board can be found at https://journals.iucr.org/f/services/editors.html.
All contributions will be seen by referees (normally two) before they can be accepted for publication. The editor to whom the manuscript is assigned is responsible for the review process and for accepting or rejecting the article. This responsibility includes decisions on the final form of the article and interpretation of these Notes for Authors when necessary. The editor may request revisions to the article (e.g. to the title and abstract) before peer review. Further information on the peer review process can be found at https://journals.iucr.org/f/services/peerreview.html.
Changes to an article requested by the Section Editors, Co-editor or the editorial staff should be received within one month of transmittal to the author, otherwise the submission will be considered as withdrawn. If an article is not acceptable after two revisions it will not be considered further. Any subsequent communication of the material will be treated as a new submission in the editorial process. An article that has been rejected should not be resubmitted to any IUCr journal unless the reasons given for the rejection have been fully addressed in the revised version.
After initial submission, any revised or new files should be uploaded only in response to a specific request from an editor.
For accepted articles, it is the responsibility of the Managing Editor to prepare the article for publication. This may involve correspondence with the authors and/or the responsible editor in order to resolve ambiguities or to obtain satisfactory figures or tables. The date of acceptance that will appear on the published article is the date on which the Managing Editor receives the last item required. Contact details for the Managing Editor of Section F can be found at https://journals.iucr.org/services/contactus.html.
Articles may be checked for plagiarism using the Crossref Similarity Check service.
3.4. Transfer of articles
On rare occasions, editors may suggest the transfer of an article to another IUCr Journal, if the article appears to be more suited to the other journal. The transfer process is rapid, as articles can be seamlessly transferred from one journal to another together with the corresponding reviews. The editor of the new journal will often make a decision based on the existing reviews, but will sometimes invite additional reviewers. Note that any change to the journal of publication will only be made after full discussion with the submitting author.
3.5. Author's warranty and ethical considerations
The submission of an article is taken as an implicit guarantee that the work is original, that it is the author(s) own work, that all authors are aware of and concur with the submission, that all workers involved in the study are listed as authors or given proper credit in the acknowledgements, that the article has not already been published (in any language or medium), and that it is not being considered and will not be offered elsewhere while under consideration for an IUCr journal. Authors should avoid multiple or redundant publication (where essentially the same research is published in more than one journal). The prior inclusion of material in an informal publication, e.g. a preprint server, is welcomed by IUCr journals.
The co-authors of an article should be all those persons who have made significant scientific contributions to the work reported, including the ideas and their execution, and who share responsibility and accountability for the results. Other contributions should be indicated in the acknowledgements. Changes to the list of authors will normally require the agreement of the editor and all authors.
The IUCr is a member of COPE (Committee on Publication Ethics) and endorses its recommendations, including the Code of Conduct for Editors, which are available at https://www.publicationethics.org/. For more information about the ethical considerations related to publication, see the IUCr's ethical publishing policy.
3.6. AI tools
Authors may make use of AI tools in preparing their articles. However, such tools may not be listed as an author, as they cannot be held accountable for the work. All co-authors of the text should carefully check for any errors introduced through the use of an AI tool. Authors who have employed an AI tool should document this use in the methods or acknowledgements sections.
3.7. Author grievance procedure
An author who believes that an article has been unjustifiably treated by the Co-editor may appeal initially to the Section Editors for a new review and, finally, to the Editor-in-chief of IUCr Journals if still aggrieved by the decision. The initial appeal should be made within three months of rejection of the article. The decision of the Editor-in-chief is final.
3.8. Licencing
Except as required otherwise by national laws, an author will be required to agree to either a licence to publish or an open-access licence (see Section 3.9) before a manuscript can be accepted. Details of author rights can be found at https://journals.iucr.org/services/authorrights.html.
3.9. Open access
Authors are given the opportunity to make their articles open access. Authors of open-access articles will not be asked to transfer copyright to the IUCr, but will instead be asked to agree to an open-access licence. This licence is identical to the Creative Commons Attribution (CC-BY) Licence. Further details can be found at https://journals.iucr.org/f/services/openaccess.html.
3.10. Publication fees
There are no fees for colour figures or electronic reprints. If authors require open access there is a charge and for some authors this may be covered by a transformative deal with their institution. Full details will be given at the proof stage or see https://journals.iucr.org/f/services/openaccess.html.
4. Article preparation
4.1. General information
Articles should be clearly and simply written so that they are accessible to as broad a readership as possible. Before preparing articles, authors should consult a current issue of the journal to make themselves familiar with the general format, such as the use of headings, layout of tables and citation of references. A sample issue is available at https://journals.iucr.org/f/issues/sample/.
The title of the article should be written to appeal to a wide audience and should include key phrases in the subject area. The most effective titles are generally no more than 10–12 words in length. The use of acronyms or abbreviations should be avoided.
All contributions should be accompanied by an English language Abstract and a one or two sentence Synopsis of the main findings of the article for inclusion in the contents pages. Authors should also supply at least five carefully selected keywords. These may include synonyms and specific phrases related to the subject of the article.
The Abstract should state as specifically and as quantitatively as possible the principal results obtained and their broad significance. It should be suitable for reproduction by abstracting services without a change in wording. It should make no reference to tables, diagrams, atom numbers or formulae contained in the article. It should not contain footnotes and should not include the use of `we' or `I'.
Research Communications should normally be divided into the following sections: introduction, experimental (including materials and methods), results, discussion, acknowledgements and references.
4.2. Quality of writing
It is important that articles are well written and grammatically correct. If the Co-editor concludes that language problems would place an undue burden on the referees, the manuscript may be returned to the authors without review. Details of language-editing services can be found at https://journals.iucr.org/services/languageservices.html.
4.3. Diagrams and photographs (`figures')
A set of guidelines for preparing figures is available from https://journals.iucr.org/f/services/help/artwork/guide.html. Figures should be prepared using one of the file formats listed in Section 3.2. To aid reviewing of articles that have not been prepared in publBio, figures and their corresponding captions should also be included in the article at the point that they are first mentioned.
The choice of figures should be optimized to produce the shortest article consistent with clarity. Duplicate presentation of the same information in both figures and tables is to be avoided, as is redundancy with the text. Supplementary figures may be deposited (see Section 6).
An image should be provided which summarizes the message of the paper, and can be used as a graphical abstract or thumbnail on the contents pages and the first page of the article.
Authors of protein structure articles are requested to provide a figure illustrating the overall fold of the protein and a diagram illustrating the fit of any relevant side chains or ligands to the electron density.
4.3.1. Quality
Electronic files in the formats listed in Section 3.2 are essential for high-quality reproduction. The resolution of bitmap graphics should be a minimum of 600 d.p.i.
4.3.2. Size
Diagrams will normally be sized so that the greatest width including lettering is less than the width of a column in the journal (8.8 cm).
4.3.3. Lettering and symbols
Fine-scale details and lettering should be large enough to be clearly legible (ideally 1.5–3 mm in height) after the whole diagram has been reduced to one column width.
Lettering should be kept to a minimum; grids and shadings should be avoided where they are not required to improve clarity. Descriptive matter should be placed in the caption.
A scale bar should be included on images that contain crystals.
4.3.4. Numbering and captions
Diagrams should be numbered in a single series in the order in which they are referred to in the text. Each figure should be accompanied by a caption.
4.3.5. Stereofigures
Atom labelling when included should be on both left and right views in stereo perspective. Both views should be incorporated into a single figure. Stereofigures should be wall-eyed (i.e. left-eye image on the left).
4.4. Tables
Authors submitting in Word should use the Word table editor to prepare tables. Experimental tables can also be prepared as in Section 4.4.3 below.
4.4.1. Use of tables
Extensive numerical information is generally most economically presented in tables. Text and diagrams should not be redundant with the tables.
4.4.2. Design, numbering and size
Tables should be numbered in a single series of arabic numerals in the order in which they are referred to in the text. They should be provided with a caption.
Tables should be carefully designed to occupy a minimum of space consistent with clarity.
4.4.3. Experimental tables
Each article describing the crystallization or structure determination of a macromolecule will normally include standard experimental details tables (see Section 5). Such tables may be generated using the IUCr Word templates available from https://journals.iucr.org/services/wordstyle.html. Alternatively, authors may use publBio to generate these tables. This online tool can be found at https://publbio.iucr.org.
4.5. Video and multimedia content
Multimedia content (e.g. time-lapse sequences, three-dimensional structures) is welcomed. The preferred file formats for multimedia are given at https://journals.iucr.org/services/filetypes.html.
4.6. Mathematics and letter symbols
Authors submitting in Word should use the Word equation editor to prepare displayed mathematical equations.
The use of the stop (period) to denote multiplication should be avoided except in scalar products. Generally no sign is required but, when one is, a multiplication sign (×) should be used.
Scalar variables and non-standard functions should appear in italic type.
Vectors should be in bold type and tensors should be in bold-italic type.
Greek letters should not be spelled out.
Care should be taken not to cause confusion by using the same letter symbol in two different meanings.
Gothic, script or other unusual lettering should be avoided. Another typeface may be substituted if that used by the author is not readily available.
All displayed equations, including those in published Appendices, should be numbered in a single series.
4.7. Nomenclature
4.7.1. Units
The International System of Units (SI) is used except that the ångström (symbol Å, defined as 10−10 m) is generally preferred to the nanometre (nm) or picometre (pm) as the appropriate unit of length. Recommended prefixes of decimal multiples should be used rather than `× 10n'.
4.7.2. Biochemical nomenclature
The recommendations of the Nomenclature Committee of IUBMB and the IUPAC-IUBMB Joint Commission on Biochemical Nomenclature (see https://iubmb.qmul.ac.uk/) should be followed as far as practicable. The recommendations of the latest edition of Enzyme Nomenclature (1992, San Diego: Academic Press; and its supplements) should be followed as far as possible (see https://iubmb.qmul.ac.uk/enzyme/). This includes the quoting of EC numbers. It is recommended that authors use the new nomenclature for restriction enzymes, DNA, methyltransferases, homing endonucleases (and their genes) that has been proposed by Roberts et al. [(2003), Nucleic Acids Res. 31, 1805–1812].
4.7.3. Crystallographic nomenclature
Authors should follow the general recommendations produced by the IUCr Commission on Crystallographic Nomenclature (see reports at https://www.iucr.org/resources/commissions/crystallographic-nomenclature/). Quality indicators should be given as defined in H. M. Einspahr & M. S. Weiss (2011). International Tables for Crystallography, Vol. F, ch. 2.2, pp. 64–74.
The nomenclature for components other than proteins and nucleic acids should, as far as possible, follow that used in the Worldwide Protein Data Bank Chemical Component Dictionary.
Space groups should be designated by the Hermann–Mauguin symbols. Standard cell settings, as listed in Volume A of International Tables for Crystallography, should be used unless objective reasons to the contrary are stated. When a non-standard setting is used, the list of equivalent positions should be given. Hermann–Mauguin symbols should also be used for designating point groups and molecular symmetry. It is helpful if the origin used is stated explicitly where there is a choice.
The choice of axes should normally follow the recommendations of the Commission on Crystallographic Data [Kennard et al. (1967). Acta Cryst. 22, 445–449].
A symbol such as 123 or hkl without brackets is understood to be a reflection, (123) or (hkl) a plane or set of planes, [123] or [uvw] a direction, {hkl} a form and 〈uvw〉 all crystallographically equivalent directions of the type [uvw]. Other bracket notations should be explicitly defined.
If a crystallographic term carries a specific meaning but is already established with a different meaning in another field, it is acceptable to use the term in that manner as long as its intended meaning is evident within the context of the paper.
4.7.4. Nomenclature of chemical compounds etc.
Formulae and nomenclature should conform to the rules of nomenclature established by the International Union of Pure and Applied Chemistry (IUPAC), the International Mineralogical Association (IMA) and other appropriate bodies. As far as possible the crystallographic nomenclature should correspond to the systematic name.
Any accepted trivial or non-systematic name may be retained, but the corresponding systematic (IUPAC) name should also be given.
4.8. Funding information
Articles may include a Funding information section. This section aims to help authors comply with the reporting requirements of funders, and includes information on funders and grant/award numbers. Funding information should not be included in the acknowledgements section. For more information, see https://journals.iucr.org/services/funding.html.
4.9. References
References to published work should be indicated by giving the authors' names followed immediately by the year of publication, e.g. Neder & Schulz (1998) or (Neder & Schulz, 1998). Where there are three or more authors the reference in the text should be indicated in the form Smith et al. (1998) or (Smith et al., 1998).
The reference list should be arranged alphabetically and conform with the following style:
Agirre, J., Atanasova, M., Bagdonas, H., Ballard, C. B., Baslé, A., Beilsten-Edmands, J., Borges, R. J., Brown, D. G., Burgos-Mármol, J. J., Berrisford, J. M., Bond, P. S., Caballero, I., Catapano, L., Chojnowski, G., Cook, A. G., Cowtan, K. D., Croll, T. I., Debreczeni, J. É., Devenish, N. E., Dodson, E. J., Drevon, T. R., Emsley, P., Evans, G., Evans, P. R., Fando, M., Foadi, J., Fuentes-Montero, L., Garman, E. F., Gerstel, M., Gildea, R. J., Hatti, K., Hekkelman, M. L., Heuser, P., Hoh, S. W., Hough, M. A., Jenkins, H. T., Jiménez, E., Joosten, R. P., Keegan, R. M., Keep, N., Krissinel, E. B., Kolenko, P., Kovalevskiy, O., Lamzin, V. S., Lawson, D. M., Lebedev, A. A., Leslie, A. G. W., Lohkamp, B., Long, F., Malý, M., McCoy, A. J., McNicholas, S. J., Medina, A., Millán, C., Murray, J. W., Murshudov, G. N., Nicholls, R. A., Noble, M. E. M., Oeffner, R., Pannu, N. S., Parkhurst, J. M., Pearce, N., Pereira, J., Perrakis, A., Powell, H. R., Read, R. J., Rigden, D. J., Rochira, W., Sammito, M., Sánchez Rodríguez, F., Sheldrick, G. M., Shelley, K. L., Simkovic, F., Simpkin, A. J., Skubak, P., Sobolev, E., Steiner, R. A., Stevenson, K., Tews, I., Thomas, J. M. H., Thorn, A., Valls, J. T., Uski, V., Usón, I., Vagin, A., Velankar, S., Vollmar, M., Walden, H., Waterman, D., Wilson, K. S., Winn, M. D., Winter, G., Wojdyr, M. & Yamashita, K. (2023). Acta Cryst. D79, 449–461.
Brünger, A. T. (1992a). X-PLOR. Version 3.1. A System for X-ray Crystallography and NMR. Yale University, Connecticut, USA.
Brünger, A. T. (1992b). Nature (London), 355, 472–474.
Brünger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J.-S., Kuszewski, J., Nilges, M., Pannu, N. S., Read, R. J., Rice, L. M., Simonson, T. & Warren, G. L. (1998). Acta Cryst. D54, 905–921.
Crowther, R. A. (1972). The Molecular Replacement Method, edited by M. G. Rossmann, pp. 173–178. New York: Gordon and Breach.
International Union of Crystallography (2023). (IUCr) Structural Biology Communications, https://journals.iucr.org/f.
Jones, A. B. (2023). Acta Cryst. F79. In the press.
Petit, G. A., Mohanty, B., McMahon, R. M., Nebl, S., Hilko, D. H., Wilde, K. L., Scanlon, M. J., Martin, J. L. & Halili, M. A. (2021). bioRxiv, https://doi.org/10.1101/2021.03.25.436878.
Reyes, A. A., Fishbain, S. & He, Y. (2022). Acta Cryst. F78, https://doi.org/10.1107/S2053230X22000553.
Schomaker, V. (1946). Personal communication.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
Note that all authors and inclusive page numbers should be given.
Identification of individual structures in the article by use of database reference (identification) codes should be accompanied by a full citation of the original literature in the reference list. In such cases, the citation in the text should take the form `…the structure of amicyanin (PDB code 1aac; Cunane et al., 1996)'.
Citations in supporting information should appear in the main body of the article or be given in a related literature section.
5. Data requirements
In order that others can reproduce, verify and build on the work published in IUCr Journals, authors are expected to make supporting data freely available. In this context, the IUCr has adopted a data-sharing policy that requires the data supporting the results in a structural article to be peer reviewed and archived either with the IUCr or in an appropriate public repository. For peer-review purposes, authors are asked to provide access to their data on submission.
Authors should follow the deposition recommendations of the IUCr Commission on Biological Macromolecules [Acta Cryst. (2000), D56, 2]. For all structural studies of macromolecules, coordinates and the related experimental data (intensities and their estimated standard uncertainties and/or NMR restraints) should be deposited at a member site of the Worldwide Protein Data Bank (https://www.wwpdb.org). Authors should deposit their data with the wwPDB in advance of submission to the journal and the data should be released upon publication.
5.1. Validation reports
Authors of structural articles are required to provide a full official validation report obtained from the wwPDB for each structure. Further information about validation reports can be found in the online submission instructions.
5.2. Crystal structures
It is expected that crystal structures submitted to Section F will have been refined crystallographically. For each structural model, the following should be provided upon submission: the wwPDB reference code(s), a full wwPDB validation report, a file containing coordinates (mmcif or pdb format), a reflection data file, preferably as intensities and their estimated standard uncertainties (mmcif or mtz format). Authors are also encouraged to upload anomalous dispersion data and/or experimental phases where appropriate (e.g. for metal identification).
Each structural article will normally include standard experimental tables. Further information and templates for standard experimental tables for crystal structure determinations can be found at https://journals.iucr.org/services/mx/.
Adequate details should be provided regarding the steps followed in constructing the model and refining the structure. Also requested are: the number of solvent atoms; solvent B values; the history and salient details of the refinement methods employed, including the restraints used; a description of how the thermal parameters were treated; and how the solvent sites were selected and handled during refinement.
Any structural features that are considered somewhat unusual should be described in the article. Examples include cis peptide bonds; unoccupied volume inside the protein, buried charge groups that are not involved in salt bridges or reasonable hydrogen-bonding environments; unusual locations of glycine and proline residues; unusual distributions of polar and hydrophobic groups within the molecule; and unusual bond lengths, bond angles, planes, intra- and intermolecular contacts.
Any unexplained electron density that is not accounted for by the current model, or whose interpretation is ambiguous, should be discussed.
5.3. Crystallization data
Standard experimental tables for inclusion in articles describing the crystallization of a macromolecule can be found at https://journals.iucr.org/services/mx/. Before submission, authors should perform a sequence search against the Protein Data Bank and the closest homologue should be mentioned in the article. The author's sequence is expected to have 40% or less identity to the closest homologue (or have other interesting features). The article should also contain additional proof that the correct macromolecule has been crystallized (e.g. SDS–PAGE, mass spectrometry or N-terminal sequencing of dissolved crystals) and enough new information to be acceptable. If the target sequence has between 40% and 80% sequence identity to the closest homologue, additional information, such as enzyme kinetics or binding studies data, is required. If the sequence identity is greater than 80%, the article will, in general, not be acceptable unless there is some novelty in the crystallization experiment, e.g. a special procedure, special seeding or a novel compound.
5.4. Small-angle scattering data
For structures determined by small-angle scattering, authors should deposit their data at the SASBDB (https://www.sasbdb.org/) in advance of submission to the journal and provide the SASBDB reference code(s). Authors should follow the publication guidelines from Trewhella et al. [Acta Cryst. (2017), D73, 710–728]. Templates and guidelines for articles reporting structural modelling of small-angle scattering may also be found at https://journals.iucr.org/services/sas/.
5.5. Cryo-EM structural data
EM maps should be deposited in the Electron Microscopy Data Bank (EMDB; https://www.ebi.ac.uk/emdb) in advance of submission to the journal, and the data should be released upon publication. For each structural model, the following should be provided during submission: an EMDB reference code, a full wwPDB validation report, molecular coordinates (mmcif or pdb file), a primary map file, a map image file. Authors are also encouraged to upload half maps, additional maps and FSC curves where appropriate.
Further information and templates for standard experimental tables for cryo-EM structure determinations can be found at https://journals.iucr.org/services/cryoem/.
5.6. NMR data
For structures determined by NMR, authors should deposit their data (molecular coordinates, assigned chemical shifts and the restraint data used in the last round of refinement) at the wwPDB and BMRB (https://bmrb.io/) in advance of submission to the journal, and the data should be released upon publication. It is recommended that the NOE peak list is also deposited. For each structural model, the following should be provided during submission: the wwPDB reference code(s); a full wwPDB validation report, molecular coordinates (mmcif or pdb file), a chemical shift file (.str), at least one restraints file (.tbl or .mr). Authors are also encouraged to upload a peak list file.
Further information and templates for standard experimental tables for NMR structure determinations can be found at https://journals.iucr.org/services/nmr/.
5.7. Neutron diffraction data
In articles reporting neutron data, preliminary nuclear density maps should not be included unless the relevant statistics of R, Rfree, correlation coefficient and error estimates are provided.
5.8. Powder diffraction data
Authors of powder diffraction articles should consult the notes provided at https://journals.iucr.org/services/cif/powder.html. For articles that present the results of powder diffraction profile fitting or refinement (Rietveld) methods, the primary diffraction data, i.e. the numerical intensity of each measured point on the profile as a function of scattering angle, should be deposited.
5.9. Small-molecule structure determinations
Authors of articles that report the results of crystal structure determinations of small molecules or materials should supply data as a single electronic file in CIF format. Structure-factor data in CIF format are also required.
5.10. Raw data
For articles describing a new structure or a new method tested on unpublished data, authors are recommended to make arrangements for their original raw diffraction data to be archived in a repository that assigns a DOI to the data. The assigned doi should be provided during the submission process and a link from the article to the data will be made upon publication.
6. Additional supporting information
Additional supporting information (such as experimental analyses, additional figures and multimedia content) that may be of use or interest to some readers but does not form part of the article itself will be made available from the journal website. Arrangements have also been made for such information to be deposited, where appropriate, with relevant databases. In some cases, e.g. large raw data sets, the journal might not host the data but will provide links if DOIs are available for the data.
7. Author information and services
An author services page is available at https://journals.iucr.org/f/services/authorservices.html.
7.1. Author tools
A number of tools are available to help with the preparation of articles.
Word templates can be downloaded from https://journals.iucr.org/services/wordstyle.html.
Table tools within the Word templates may be used to prepare experimental tables from an mmCIF or from a released structure in the wwPDB.
Alternatively, authors may use publBio available at https://publbio.iucr.org. This web service provides a quick and easy route to prepare and submit an article, and helps to ensure that all items necessary for publication are included.
7.2. Status information
Authors may obtain information about the current status of their articles at https://journals.iucr.org/services/status.html.
7.3. Proofs
Proofs will be provided in portable document format (pdf). The submitting author will be notified by e-mail when the proofs are ready for downloading.
7.4. Reprints
After publication, the submitting author will be able to download the electronic reprint of the published article, free of charge.
7.5. Open-access articles
The final published version of each IUCr open-access article is deposited with PubMed Central on behalf of the authors.
7.6. Publication and social media
Section F is available online at https://journals.iucr.org/f. Once your article has been published it will also appear on Twitter @ActaCrystF.
7.7. Publicising your article
There are many ways in which the IUCr promotes and raises awareness of articles published in its journals. More information on this and suggestions on how to publicise your articles can be found at https://journals.iucr.org/f/services/articlepublicity.html.
![[publBio]](/logos/publbio.gif)
