Dataset |
Protein state (one column for each condition: that is, apo, ligand-bound, mutant and others) |
HDX reaction details |
Labeling conditions, for example, percent D2O, pH(read), temperature and so on |
HDX time course |
Listing of what time points were analyzed |
HDX controls |
Description of HDX control samples analyzed |
Back-exchange |
Back-exchange (average) for all peptides measured (model system or studied protein) and the interquartile range of these values |
Number of peptides |
Description of the number of peptides used for which HDX data were obtained |
Sequence coverage |
Expressed as the percentage of amides covered by the peptides for which HDX data were obtained |
Average peptide length/redundancy |
Average peptide length and number of readings for any amide (calculated as the total number of peptides for which HDX data were obtained over the total number of amides) |
Replicates (biological or technical) |
Number and specification of replicate HDX-MS measurements performed for each condition and deuterium incorporation time point |
Repeatability |
A quantitative measure of the repeatability of deuterium measurement (for example, the average standard deviation from technical replicate measurements of the deuterium content of all peptides from one or more time points for a single condition) |
Significant differences in HDX |
A value used as a threshold to represent a significant difference in HDX between examined protein states as based on a quantitative measure of repeatability |