Table 2.

Summary of calculated values, compared with experimental data, for large proteins and macromolecular complexes

Protein, Nr	Experimental∗	Atomic shell model N < 2000	Residue-Cα shell model N < 2000	Residue-Cα bead model N = Nr
GroEL, 7273	s = 22.13	21.5	22.3	21.5
	Dt = 2.59	2.58	2.68	2.58
	Rg = 67	66.1	64.4	65.0
Urease, 4996	Dt = 3.5	3.3	3.3	3.3
	s = 18.3	18.0	18.1	17.4
Half urease, 2504	s = 11.5	11.3	11.3	10.6
Ribosome 30S, 3883	Rg = 69	67.5	67.4	65.9
	s = 31.8	34.0	33.4	38.4
	Dt = 2.18	2.55	2.50	2.62
	[η] = 8.1	4.2	4.4	3.8
Ribosome 50S, 6336	Rg = 77	71.7	74.3	77.6
	s = 50.2	52.0	50.4	50.8
	Dt = 1.90	2.22	2.15	2.21
	[η] = 5.6	3.6	3.9	3.6
Ribosome 70S, 10219	Rg= 91.5	87.0	89.3	91.0
	s = 70.5	67.6	67.2	74.9
	Dt = 1.72	1.82	1.81	1.66
	[η] = 5.8	4.1	4.1	4.6
IgM, 7514	Rg = 121	†	127	126
	Dt = 1.82	†	1.73	1.70
	s = 17.5	†	18.4	18.4
	[η] = 13.4	†	13.7	13.8

^∗s expressed in Svedberg units (S); D_t in units of 10⁻⁷ cm²/s; R_g in Å, [η] in cm³/g.

^†Atomic structure not available.