Dear Shane,
Your University should have a Data Librarian who would arrange archiving of your data locally along with registration of your data sets by your institution each with a digital object identifier (doi). You could then cite these dois in your paper. Your Data Librarian could also assist you likewise with archiving and doi registration of your raw diffraction image datasets.
Best wishes,
John
On 9 Jun 2016, at 18:55, Shane Caldwell <[log in to unmask]> wrote:
> Hi ccp4bb,
>
> I've got some data from ultimately unsuccessful soaking experiments. In comparison to some productive soaks, these experiments provide some indirect evidence about how the protein interacts with ligands, which I use to support some conclusions about the enzyme and ligand interactions. All with the necessary caveats about crystallization != solution and lattice effects on soaking.
>
> In this case, these data sets don't have a meaningful model that is different from the apo version of the protein, but I'm still using the experimental data to draw conclusions, so I would think it's prudent to still deposit the structure factors somewhere publicly accessible. Is there a place to deposit reflection files that doesn't necessitate a model, like the PDB does? I'd like to be transparent and put the data somewhere others can check it if so inclined.
>
> Shane Caldwell
> McGill University
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