Table 1.
Protein (PDB ID) | M (Da) | Chains | RT,expa (Å) | RT,calc (Å) | % Signed Error | % Error (Jackknifed) | a/bb | Reference(s) |
---|---|---|---|---|---|---|---|---|
BPTI (5PTI) | 6518 | 1 | 14.5 | 14.3 | −1.61 | −3.41 | 1.66 | (65) |
Cytochrome c (1HRC) | 11,703 | 1 | 17.3c | 17.2 | −0.39 | −0.56 | 1.16 | (66, 67, 68) |
RNase A (8RAT) | 13,692 | 1 | 18.9 | 19.0 | +0.37 | +0.27 | 1.31 | (65) |
Lysozyme (1AKI) | 14,315 | 1 | 18.6 | 18.5 | −0.54 | −0.75 | 1.51 | (65) |
LegHb (1LH1) | 16,657 | 1 | 21.4 | 20.2 | −5.72 | −5.86 | 1.43 | (69) |
Apo-Mb (1MGN) | 17,359 | 1 | 20.8 | 19.9 | −4.19 | −4.52 | 1.35 | (70) |
Soy TI (1AVU)d | 19,984 | 1 | 22.6 | 21.9 | −3.21 | −3.43 | 1.10 | (71) |
Trypsinogen (1TGN) | 22,620 | 1 | 22.1 | 22.1 | −0.11 | −0.25 | 1.15 | (72) |
β-trypsin (1TPO) | 23,124 | 1 | 22.8 | 22.2 | −2.74 | −2.96 | 1.13 | (73) |
α-chymotrypsin (4CHA)d | 25,041 | 1 | 22.7 | 22.9 | +0.80 | +0.72 | 1.15 | (71) |
Chymotrypsinogen (2CGA)d | 25,670 | 1 | 22.6 | 23.3 | +2.91 | +2.91 | 1.08 | (74) |
Carbonic anhydrase (2CAB)d | 28,757 | 1 | 24.1 | 23.9 | −0.71 | −0.84 | 1.36 | (75) |
Superoxide dismutase (2SOD)d | 31,089 | 2 | 25.9 | 25.8 | −0.58 | −0.73 | 1.59 | (76) |
Pepsin (4PEP)d | 34,516 | 1 | 24.6 | 26.2 | +6.26 | +6.38 | 1.37 | (77) |
β-lactoglobulin (1BEB)d | 36,606 | 2 | 27.4 | 27.3 | −0.52 | −0.66 | 1.83 | (78) |
TPI (8TIM) | 52,996 | 2 | 29.7 | 30.5 | +2.42 | +2.39 | 1.45 | (66) |
Hb (CO) (1HCO) | 61,942 | 4 | 31.5 | 31.6 | +0.24 | +0.15 | 1.11 | (79) |
HSA (1AO6) | 66,482 | 1 | 34.0 | 35.1 | +3.21 | +3.21 | 1.49 | (80) |
Alkaline phosphatase (1ALK) | 94,082 | 2 | 37.6 | 36.5 | −2.94 | −3.10 | 1.67 | (81) |
Citrate synthase (1CTS)d | 97,835 | 2 | 37.0 | 37.7 | +2.06 | +2.03 | 1.53 | (82) |
Inorganic PPase (2AU9) | 1,17,361 | 6 | 37.6 | 39.4 | +4.72 | +4.77 | 1.23 | (81) |
Trp. synth. (1KFK) | 1,38,595 | 4 | 44.4 | 45.8 | +3.11 | +3.11 | 2.20 | (83) |
Human IgG (1HZH) | 1,433,37 | 4 | 55.1 | 54.9 | −0.37 | −0.44 | 2.07 | (84) |
Apo-G3PD (2GD1)d | 1,43,743 | 4 | 42.9 | 43.3 | +1.00 | +0.95 | 1.16 | (85) |
Apo-LDH (5LDH)d | 1,45,749 | 4 | 42.5 | 42.5 | −0.07 | −0.14 | 1.20 | (86) |
Aldolase (1ADO)d | 1,56,776 | 4 | 47.6c | 47.7 | +0.12 | +0.03 | 1.30 | (87, 88, 89) |
Holo calalase (4BLC)d | 2,30,321 | 4 | 52.3 | 52.4 | +0.17 | +0.11 | 1.47 | (90) |
Xanthine oxidase (1FIQ) | 2,67,770 | 6 | 54.5 | 54.5 | −0.14 | −0.21 | 1.78 | (91) |
β-galactosidase (4V40) | 4,64,490 | 4 | 68.5 | 67.1 | −2.02 | −2.10 | 1.63 | (92) |
Apoferritin (3AJO) | 5,120,84 | 24 | 67.4 | 64.7 | −4.00 | −4.11 | 1.00 | (93) |
Urease (3LA4) | 5,397,00 | 6 | 65.8c | 66.6 | +1.26 | +1.23 | 1.13 | (94, 95) |
GroEL (2CGT) | 8,28,989 | 21 | 82.8 | 86.3 | +4.26 | +4.27 | 1.40 | (96) |
YMV capsid (1AUY) | 3,456,960 | 60 | 151.2 | 152.4 | +0.28 | +0.28 | 1.06 | (97) |
mean % signed error | +0.10 | −0.04 |
Hb, hemoglobin; HSA, human serum albumin; IgG, immunoglobulin G; TI, trypsin inhibitor; TPI, triose phosphate isomerase; Trp. Synth., tryptophan synthase; YMV, Yellow Mosaic Virus.
All experimental hydrodynamic coefficients as reported in the references were converted to RT for comparison.
Axial ratio of a prolate ellipsoid with volume equal to the initial convex hull volume.
Average value of those reported in cited publications.
PDB files for these structures provided by Mattia Rocco and Olwyn Byron. Missing residues were modeled as described in (32).