. 2022 Oct 8;27(8):705–713. doi: 10.1007/s00775-022-01966-z

Table 1.

Examples of displacement parameter range used in pairwise comparisons

Structures	Overall average RMS difference (all data), average displacement parameter of pairwise atoms	Displacement parameter range included in example distributions	Percentage of all data included in distribution
Cu(I) and Cu(II)	0.13 Å, 15 Å²	9–21 Å²	80.0%
5ACH and 5ACG	0.13 Å, 15 Å²	9–21 Å²	80.0%
Cu(I) and Cu(I)-G3	0.13 Å, 20 Å²	15–25 Å²	64.1%
5ACH and 5ACJ	0.13 Å, 20 Å²	15–25 Å²	64.1%
Cu(II) and Cu(II)-G3	0.15 Å, 15 Å²	9–21 Å²	77.8%
5ACG and 5ACF	0.15 Å, 15 Å²	9–21 Å²	77.8%
Cu(I)-G3 and Cu(II)-G3	0.17 Å, 19 Å²	14–24 Å²	70.6%
5ACJ and 5ACF	0.17 Å, 19 Å²	14–24 Å²	70.6%