Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| EcTet (31–252) | HiMon (33–253) | |
|---|---|---|
| PDB entry | 6dr3 | 6dcj |
| Resolution range (Å) | 22.7–2.10 (2.18–2.10) | 34.44–1.35 (1.40–1.35) |
| Completeness (%) | 99.23 (94.08) | 90.52 (60.70) |
| σ Cutoff | None | None |
| No. of reflections, working set | 13194 (1230) | 91406 (6065) |
| No. of reflections, test set | 1465 (137) | 7328 (490) |
| Final R cryst | 0.177 (0.249) | 0.155 (0.228) |
| Final R free | 0.213 (0.280) | 0.190 (0.279) |
| No. of non-H atoms | ||
| Protein | 1776 | 3652 |
| Ion | 0 | 2 |
| Water | 151 | 714 |
| Total | 1927 | 4368 |
| R.m.s. deviations | ||
| Bonds (Å) | 0.002 | 0.007 |
| Angles (°) | 0.44 | 1.17 |
| Average B factors (Å2) | ||
| Overall | 38 | 25† |
| Protein | 38 | 22 |
| Ion | n.a. | 21 |
| Water | 40 | 35 |
| Ramachandran plot | ||
| Most favored (%) | 97.29 | 99.54 |
| Allowed (%) | 2.71 | 0.46 |
| Rotamer outliers (%) | 0.53 | 0.51 |
| MolProbity score/clashscore | 1.01/1.41 | 1.03/2.46 |
†
The HiMon structure was refined with anisotropic B factors. Isotropic equivalent values are shown in this table.