Table 1.
Data collection and refinement statistics
|
Data sets | |||
| PDB ID |
4H5C |
4H5D |
4H5E |
| Ligands |
YS0470, Pi |
YS0470, PPi |
YS0470, IPP |
|
Data collection | |||
| Space group |
P41212 |
P41212 |
P41212 |
| Unit cell dimension (Å) |
a = b = 110.98, c = 66.79 |
a = b = 111.53, c = 66.24 |
a = b = 111.24, c = 65.65 |
| Resolution range (Å) |
50.0-2.02 (2.05-2.02) |
50.0-2.02 (2.05-2.02) |
50.0-2.05 (2.09-2.05) |
| Redundancy |
26.4 (24.1) |
28.2 (27.9) |
27.3 (26.2) |
| Completeness (%) |
99.9 (100) |
100 (100) |
100 (100) |
|
I/σ(I) |
36.9 (5.7) |
59.9 (7.7) |
47.7 (6.9) |
|
Rmerge |
0.061 (0.475) |
0.043 (0.418) |
0.043 (0.369) |
|
Refinement | |||
| No. reflections |
26,374 |
26,414 |
24,849 |
|
Rwork/Rfree |
0.180/0.213 |
0.180/0.203 |
0.186/0.233 |
| No. protein atoms |
2,705 |
2,748 |
2,743 |
| No. ligand atoms |
31 |
35 |
40 |
| No. ion atoms |
3 |
3 |
3 |
| No. solvent atoms |
132 |
136 |
108 |
|
R.m.s. deviations | |||
| Bond length (Å) |
0.018 |
0.019 |
0.020 |
| Bond angle (°) | 1.8 | 1.9 | 2.0 |