Table 1. Data collection and refinement statistics for EhCrtM in complex with FSPP.
| EhCrtM-FSPP | |
|---|---|
|
| |
| PDB code | 5IYS |
| Data collection | |
| space group | P21 |
| unit-cell | |
| a [Å] | 37.2 |
| b [Å] | 41.1 |
| c [Å] | 93.5 |
| α /β /γ (°) | 90.00/96.35/90.00 |
| resolution[Å] | 25-2.68 (2.78-2.68) |
| unique reflections | 21560 (2126) |
| redundancy | 5.2 (5.0) |
| completeness [%] | 99.7 (99.8) |
| average l/σ(l) | 24.43 (5.98) |
| R mergea [%] | 6.3 (26.9) |
| Refinement | |
| no. of reflections | 20009 (1465) |
| Rworka (95% of data) | 0.166 (0.198) |
| Rfree. a (5 % of data) | 0.219 (0.254) |
| r.m.s.d. bonds [Å] | 0.010 |
| r.m.s.d. angles [°] | 1.445 |
| dihedral angles | |
| most favored [%] | 98.9 |
| allowed [%] | 1.1 |
| disallowed [%] | 0.0 |
| no. of non-H atoms / average B | |
| [Å2] | |
| Protein | 2325/28.1 |
| Water | 203/40.1 |
| Ion | 13/58.2 |
| Ligand | 48/34.6 |
Values in parentheses are for the highest resolution shell.
a
Rmerge = ΣhklΣi|Ii(hkl)-<I(hkl)>| / ΣhklΣiIi(hkl).