Table 2. Perturbations induced by glutaraldehyde.
Molecules | First residue | Second residue† | Cα—Cα distances‡ | N∊—Cζ distances‡ |
---|---|---|---|---|
A–A* | LysA19 | ArgA59* [3 0 0 0] | 13.13/12.49 | 7.01/3.65 |
B–B* | LysB19 | ArgB59* [2 1 1 −1] | 12.67/12.01 | 8.86/2.84 |
C–C* | LysC19 | ArgC59* [2 0 1 −1] | 12.38/12.00 | 9.49/3.34 |
The operators of the symmetry-related monomers are given in square brackets and follow the usual notation of the P32 space group: the symmetry number (1, x, y, z; 2, −y, x − y, 2/3 + z; 3, −x + y, −x, 1/3 + z) is followed by the three translations.
The first value corresponds to native barnase and the second to the cross-linked structure.