Table 1. Data collection and structure refinement statistics.
| Data collection | EcPbgA245 | StPbgA191 | StPbgA245 (SAD) |
|---|---|---|---|
| Resolution (Å) | 47.83–1.67 (1.71 −1.67) | 65.22–2.19 (2.25–2.19) | 65.85–1.64 (1.68 −1.64) |
| Wavelength (Å) | 0.9795 | 0.9795 | 0.9795 |
| Space Group | P3121 | P21 | P21 |
| Completeness (%) | 99.6 (99.2)* | 99.4 (99.4) | 95.1 (89.2) |
| I/σ | 17.8 (1.1) | 5.8 (1.8) | 15.5 (1.1) |
| Multiplicity | 9.6 (7.6–9.9) | 6.1 (6.4–4.8) | 11.8 (13.1–6.1) |
| CC1/2 (%) | 100 (59.5) | 98.7 (54.5) | 99.9 (49.5) |
| Unique reflections | 44003 (4034) | 51747 (5044) | 66831 (6540) |
| Rmerge (%) | 14.3 (26.40) | 16.50 (27.80) | 15.2 (25.03) |
| Unit Cell (Å) | a = b = 57.42, c = 191.31 | a = 51.48 b = 195.65, c = 70.92 | a = 51.60 b = 196.09, c = 70.27 |
| α = β = 90°, γ = 120° | α = γ = 90°, β = 96.39° | α = γ = 90°, β = 95.79° | |
| Refinement | |||
| &Rfactor | 0.18 (0.21) | 0.20 (0.23) | 0.19 (0.20) |
| Rfree | 0.21 (0.25) | 0.24 (0.27) | 0.22 (0.24) |
| Number of atoms | |||
| Protein | 2604 | 10724 | 10745 |
| Waters | 498 | 961 | 1243 |
| R.M.S. deviation | |||
| Bond lengths (Å) | 0.014 | 0.02 | 0.017 |
| Bond angles (°) | 1.90 | 1.93 | 1.80 |
| Ramachandran statistics | |||
| Favoured (%) | 97 | 93 | 95 |
| Allowed (%) | 3 | 7 | 5 |
| PDB code | 5I5H | 5I5F | 5I5D |
*Values in parentheses are represents for the highest-resolution shell.
&Rfactor = Σ || Fobs|−| Fcal||/Σ |Fobs|, where Fobs and Fcal are observed all reflection measured and calculated currently model as structure factors, respectively. Rfree is calculated using 5% of total reflections, which is randomly selected not used in refinement.