Table 2 Statistics of crystallographic structure refinement
D86A | D247A | E342A | E342A/Raffinose | |
|---|---|---|---|---|
Resolution range (Å) | 30 – 2.1 | 30 – 2.1 | 30 – 2.1 | 30 – 2.1 |
R-factor (%) | 16.2 | 16.8 | 18.0 | 17.9 |
Rfree (%)a | 20.8 | 21.4 | 22.2 | 22.4 |
Total number of non-hydrogen atoms | 3705 | 3711 | 3704 | 3748 |
Protein atoms | 3439 | 3439 | 3438 | 3438 |
Water molecules | 265 | 271 | 265 | 275 |
Ion sites | 1 | 1 | 1 | 1 |
Raffinose molecules | 0 | 0 | 0 | 1 |
RMSD from ideal values | ||||
Bond length (Å) | 0.009 | 0.009 | 0.009 | 0.007 |
Bond angle (°) | 1.20 | 1.19 | 1.21 | 1.07 |
Main chain B-factors (Å2) | 0.34 | 0.34 | 0.34 | 0.25 |
Side chain B-factors (Å2) | 1.12 | 1.13 | 1.16 | 0.72 |
Wilson B-factor (Å2) | 14.7 | 14.7 | 14.6 | 17.7 |
Average B-factor protein atoms (Å2) | 14.1 | 13.4 | 15.2 | 15.4 |
Average B-factor solvent atoms (Å2) | 19.3 | 19.6 | 21.9 | 16.7 |
Aver. B-factor (Å2) of raffinose | - | - | - | 13.5 |
Ramachandran statisticsb | ||||
Most favoured regions (%) | 88.5 | 89.3 | 88.3 | 88.8 |
Additionally allowed regions (%) | 9.9 | 9.4 | 10.4 | 10.2 |
Generously allowed regions (%) | 0.8 | 0.5 | 0.3 | 0.3 |
Disallowed regions (%) | 0.8 | 0.8 | 1.0 | 0.8 |