| Data set |
H-Lys |
DCl-Lys |
NaOD-Lys |
| Ma (g/mol) |
138849 |
143134 |
143134 |
| m (kg) |
2.3057×10-22 |
2.3769×10-22 |
2.3765×10-22 |
| a (Å) |
78.610 |
78.960 |
78.935 |
| b (Å) |
78.610 |
78.960 |
78.935 |
| c (Å) |
36.790 |
36.875 |
36.870 |
| V (Å3) |
2.2735×105 |
2.2990×105 |
2.2973×105 |
| ΘD (K) |
13 |
12.8 |
12.8 |
| x = ΘD/T |
0.130 |
0.128 |
0.128 |
| Φ/x + 1/4 |
7.70 |
7.80 |
7.80 |
| B (calculated) (Å2) |
4.9×10-2 |
4.9×10-2 |
4.9×10-2 |
| Bb (observed) (Å2) |
12.805 |
12.352 |
11.537 |
| ΘD (corrected) (K) |
0.804 |
0.820 |
0.820 |
| Bhc (corrected) (Å2) |
12.8 |
11.9 |
11.9 |
aTotal mass in the unit cell
bAveraged by individual B factor of atoms in the coordinates
cCorrected by ΘD parameter |
