|
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 |
|
aRfree calculated using 5% of total reflections omitted from refinement bRamachandran statistics calculated using PROCHECK | ||||
Meng and Fütterer BMC Structural Biology 2008 8:16 doi:10.1186/1472-6807-8-16 |
||||