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        <identifier>oai:researchdata.se:doi-10-17045-sthlmuni-7886641/0</identifier>
        <datestamp>2019-04-05</datestamp>
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        <setSpec>subject:ssif:104</setSpec>
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        <setSpec>principal:slug:stockholm-university</setSpec>
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          <dc:type>info:eu-repo/semantics/other</dc:type>
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          <dc:identifier>https://doi.org/10.17045/STHLMUNI.7886641</dc:identifier>
          <dc:title xml:lang="en">ATP-cone sequence clusters</dc:title>
          <dc:creator>https://orcid.org/0000-0002-8779-6464</dc:creator>
          <dc:subject xml:lang="en">Biochemistry</dc:subject>
          <dc:subject xml:lang="sv">Biokemi</dc:subject>
          <dc:description xml:lang="en">The NCBI RefSeq database (2019-03-19; Haft et al. 2018 https://doi.org/10.1093/nar/gkx1068) was searched with Pfam's ATP-cone profile (accno: PF03477; Finn et al. 2010 https://doi.org/10.1093/nar/gkp985) returning 44367 NCBI accessions. Ribonucleotide reductase proteins were identified using HMMER (Eddy 2011 https://doi.org/10.1371/journal.pcbi.1002195) profiles from the RNRdb database (http://rnrdb.pfitmap.org). Subsequently, sequences were clustered with UCLUST (Edgar 2010 https://doi.org/10.1093/bioinformatics/btq461) at identity to remove sequence duplicates (24477 sequences remaning).
All sequences were pairwise aligned to each other using LAST (Kiełbasa et al. 2011 https://doi.org/10.1101/gr.113985.110) and a bitscore matrix was constructed. The bitscore matrix was clustered with MCL (Enright, Dongen &amp; Ouzounis 2002 https://doi.org/10.1093/nar/30.7.1575) using the Cluster Maker 2 (Morris et al. 2011 https://doi.org/10.1186/1471-2105-12-436) Cytoscape (Shannon et al. 2003 https://doi.org/10.1101/gr.1239303) app. Bitscores &lt; 200 were not included in the initial network and an inflation parameter of 2.5 was used.
The file "atp-cone_mcl_clustering.tsv" contains all information necessary to recreate the clustering as well as the assigned cluster numbers to each sequence. 

Column names: SUID: Cytoscape's id, accno: NCBI's accession number, mcl2.0ewc200-mcl3.0: cluster assignments with inflation parameters and bitscore cutoff (ewc; when used), name: sequence identifier composed of accno plus cone number, outer_inner: "inner", "middle" or "outer" when more than one cone present in full sequence, pclass and psubclass: RNR class and subclass, ptype: protein type, taxon, tdomain: taxonomic domain, title: NCBI's description of the sequence.
The "precluster_assignments.tsv" file contains the results of the preclustering with USEARCH, i.e. which usearch cluster (first column) each accession number (second column) belong to.</dc:description>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/</dc:rights>
          <dc:publisher xml:lang="en">Stockholm University</dc:publisher>
          <dc:publisher xml:lang="sv">Stockholms universitet</dc:publisher>
          <dc:date>2019-03-25T00:00:00Z</dc:date>
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