This task estimates the number of copies of a structure in a crystal cell based on the volume of the cell and the estimated structure molecular weight. It reports the number of copies of the structure that would give a crystal solvent content consistent with usually observed values. The estimated number of copies can be useful guidance to molecular replacement programs. Details


The task interface requires an MTZ experimental data file 1 from which it can read the cell parameters and calculate the cell volume. The expected cell contents can be entered as a list of sequences 2, the number of amino acid residues in the structure or the structure molecular weight.

The results are calculated for the data provided and listed in a box at the bottom of the input tab 3. If you 'Run' the task a permanent report of the result is created.