Table 4. SAXS atomistic modeling.
| P212121 structure (PDB entry 4wii) | C2221 structure (PDB entry 6ncq) | |
|---|---|---|
| CRYSOL (no constant subtraction) | ||
| χ2 † | 0.45 | 0.37 |
| CorMap p-value | 0.00009 | 0.01122 |
| Envelope R g (Å) | 24.99 | 26.22 |
| Molecular weight (kDa) | 57.58 | 58.79 |
| Vol (Å), Ra (Å), Dro (e Å−3) | 73450, 1.80, 0.03 | 67650, 1.72, 0.03 |
| CORAL | ||
| Chain position | Fixed | Fixed |
| N-terminal missing residues | Chain A, 4; chain B, 12 | Chain A, 6; chain B , 6 |
| C-terminal missing residues | Chain A, 7; chain B, 6 | None |
| χ2 † | 0.35 | 0.51 |
| CorMap p-value | 0.02216 | 0.00004 |
†
Two standard error uncertainties were used throughout (best fit χ2 near 0.25).
‡
Chain B was generated by the symmetry operator −x − 1, y, −z − 1/2.