Publication Guidelines

Publication Guidelines for SBGrid Laboratories reporting X-ray Structures

SBGrid member PIs can utilize the AppCiter software citation tool and the SBGrid Data Bank (SBDB) as resources to assist publishing scientific papers that rely on diffraction data sets. We recommend the following publication guidelines (endorsed in consultation with journal editors, Data Scientists and SBGrid PIs).

Step 1. Generate references

  • Submit your X-ray diffraction data sets (native/derivatives diffraction images) to Upon submission you will receive your data set citation in the following format:
  • Kruse, A. 2015, "X-Ray Diffraction data for: M2 muscarinic acetylcholine receptor. PDB Code 4MQT", SBGrid Data Bank, V1,

    Please note that you can choose to publish your data immediately or put it ON HOLD until the date manuscript is published.
  • Deposit your coordinates and structure factors with RCSB PDB. Upon submission you will receive your PDB code, e.g. 4MQT.
  • Generate a list of software citations. The SBGrid AppCiter tool, which is freely available on the SBGrid website (, can generate a list of citations for most software applications used in Structural Biology. AppCiter will generate an EndNote file.

Step 2. Prepare your manuscript

  • Refer to your dataset in the experimental section, e.g. "native and derivative datasets (Kruse, 2015) were collected at NE-CAT". Please note that if several datasets are supporting a single PDB file they are automatically interlinked. It would be sufficient to cite just one. Data citations include the data authors, data identifier, and other information in accordance with the Joint Declaration of Data Citation Principles ( for all research data.
  • Citation Generator: type a dataset ID number into the box below to view its citation


  • Refer to your coordinates using the PDB number. Visit the wwPDB for additional instructions.
  • Cite all software packages that were used during structure determination.
  • Cite SBGrid, e.g. "Software used in this project was curated by SBGrid (Morin, et al. eLIFE, 2013)"
  • A. Morin, B. Eisenbraun, J. Key, P. C. Sanschagrin, M. A. Timony, M. Ottaviano, and P. Sliz. 2013. Cutting edge: Collaboration gets the most out of software. eLife. 2:e01456

  • Acknowledge your beamline.

Step 3. Publish your data

  • When your paper is ready for publication, contact the SBGrid Data Bank and RCSB PDB to release your data.
  • Point to your data from other databases and websites by providing your Digital Object Identifier (e.g. DOI: 10.15785/SBGRID/125) or link directly with the DOI resolver:

Step 4. Update your website (optional)

If you have any questions about data citation please contact, or any member of the SBGrid Data Bank Advisory Board.