Table 3. Parameters Corresponding to Figure 5Aa,b.
| Protein | PEG Mw (kDa) | PEG linker | κ (×10–3, Å2) | Reaction Cut-off (Å2) | Reaction Prefactor | Experimental RMSE | RMSE12 |
|---|---|---|---|---|---|---|---|
| LALBA | 5 | SMB | 6.3 | 16 | 29 | 0.02 | 0.1 |
| 5 | SPA | 6.5 | 17 | 143 | 0.06 | 0.06 | |
| LYZ | 5 | SPA | 2.8 | <11 (<11) | 100 (150) | 0.06 (0.04) | 0.08 |
| 10 | SPA | 2.8 | <11 (<11) | 100 (100) | 0.04 (0.04) | 0.1 | |
| 20 | SPA | 2.8 | <11 (15) | 100 (79) | 0.1 (0.1) | 0.1 |
a
Values in brackets reflect changes in ESA from different probe sizes corresponding to different PEG molecular weights.
b
Parameters were fitted for each protein according to respective reaction conditions. The threshold for reaction cut-off was optimized to 11 Å, since it is approximately the smallest Euclidian distance between lysine residues in lysozyme. PEG coverage below 11 Å is considered insignificant.