Table 2. Comparison of estimated and refined tNCS operators.

	Rotation angle (°)			Translation vector (fractional)
PDB code	Refined	PDB	Angular difference†	Refined	PDB‡
2fuq	0.33	0.89	0.78	−0.038, 0.497, 0.000	−0.038, 0.499, 0.000
1un7	2.05	2.52	1.05	0.487, 0.500, 0.500	0.482, 0.499, 0.500
1y9r	2.49	1.24	2.60	0.325, 0.662, 0.589	0.324, 0.662, 0.589
1eh4	3.63	4.00	1.24	0.009, 0.007, 0.493	0.002, 0.010, 0.493
1upp	4.01	3.43	2.93	0.004, −0.496, 0.494	0.007, −0.498, 0.496

^†Angular difference measured using the symmetry-related transformation that agrees most closely with the NCS translation in the PDB file and choosing the (arbitrary) direction of rotation that minimizes the angular difference.

^‡PDB translation vector measured as a vector between centres of mass of common main-chain atoms