Table 1.

List of datasets

Dataset	1	2	3	4	5	6	7	8
Name	n/a	n/a	n/a	Ciprofloxacin	Hormaomycin	Insulin	Insulin	Elastase
SG	$P\overline{1}$	$P\overline{1}$	$P{2}_1/c$	$P\overline{1}$	$P{2}_1$	$I{2}_{1}3$	$I{2}_{1}3$	$P{2}_1{2}_1{2}_1$
$d_{min}$, Å	0.44	1.00	1.00	0.70	1.02	1.10	2.30	1.37
No. of atoms	56	60	60	60	215	436	802	2,163
No. of data	42,997	5,117	5,069	6,227	7,800	32,598	3,747	44,784
Source	31	32	32	33	34	SI	35	SI

Dataset 6′ is identical to dataset 6 but with $d_{min}$ reduced to 1.9 Å with 6,533 observations. Dataset 7 is the neutron dataset. n/a, not applicable. No. of atoms, number of non-H atoms per asymmetric unit; for dataset 7, number of all atoms. No. of data, number of unique observations; SG, space group; SI, see SI Appendix.