Table 1. Data collection and refinement statistics.
| Data collection | |
| Space group | P1211 |
| Cell dimensions (Å, °) | a = 94.9, b = 116.1, c = 150.4 |
| α = 90.0, β = 93.7, γ = 90.0 | |
| Wavelength (Å) | 0.9795 |
| Resolution range (Å) | 29.6–3.2 (3.3–3.2)* |
| Mean I/σ(I) | 7.7 (1.8)* |
| Rsym† (linear) (%) | 12.7 (69.4)* |
| Multiplicity | 3.5 (3.4)* |
| Total reflections | 187 563 (14 964)* |
| Unique reflections | 53 941 (4442)* |
| Completeness (%) | 99.1 (95.7)* |
| Refinement | |
| Resolution range (Å) | 29.6–3.20 |
| No. of reflections (working/free) | 50 598/2705 |
| No. of ColE9 residues | Chains A, B, D, and D — 488 |
| No. of Im9 residues | Chains E and F — 83 |
| Chain G — 71 | |
| Chain H — 68 | |
| No. of water molecules | 23 |
| Rwork‡/Rfree§ (%) | 21.24/27.06 |
| B average (Å2) | |
| Mean | 93.4 |
| ColE9 | 88.4 |
| Im9 | 132.8 |
| Water molecules | 47.3 |
| RMSD from ideal values | |
| Bond lengths (Å) | 0.01 |
| Bond angles (°) | 1.3 |
| Ramachandran¶|| (%) Favoured/acceptable/outlier |
93.3/6.7/0.0 |
*
Numbers given in brackets are from the last resolution shell.
†
Rsym = (ΣhklΣi|Ii(hkl) − 〈I(hkl)〉)/ΣhklΣIi(hkl), where Ii(hkl) is the intensity of the ith measurement of reflection (hkl) and 〈I(hkl)〉 is the average intensity.
‡
Rwork = (Σhkl|Fo − Fc|)/ΣhklFo, where Fo and Fc are the observed and calculated structure factors, respectively.
§
Rfree is calculated as for Rwork but from a randomly selected subset of the data (5%), which were excluded from the refinement.
||
Ramachandran analysis was carried out using the program MolProbity [48].