Table 1.
Data collection and refinement statistics
| LrPduOF112A | LrPduOF112H | LrPduOΔ183 | |
|---|---|---|---|
| Space Group | R 3 | R 3 | R 3 |
| Cell Dimensions | |||
| a, b, c (Å) | 80.7, 80.7, 89.7 | 80.9, 80.9, 90.0 | 67.7, 67.7, 111.2 |
| α, β, γ(°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution range, Å | 30.0–1.48 (1.52–1.48)a | 30.0–1.17 (1.20–1.17)a | 30.0–1.38 (1.43–1.38)a |
| Redundancy | 5.6 (5.0) | 4.4 (2.0) | 6.3 (3.1) |
| Completeness (%) | 99.7 (98.6) | 99.6 (97.3) | 97.3 (82.0) |
| Unique Reflections | 36 186 | 73 398 | 38 038 |
| Rmerge (%) | 5.7 (12.8) | 7.0 (17.9) | 6.3 (9.7) |
| Average I/σ | 46.2 (13.4) | 41.4 (6.2) | 47.7 (14.3) |
| Rcryst | 0.156 (0.150) | 0.161 (0.202) | 0.162 (0.154) |
| Rfree | 0.174 (0.172) | 0.182 (0.203) | 0.181 (0.169) |
| No. protein atoms | 1543 | 1619 | 1517 |
| No. water molecules | 158 | 211 | 167 |
| Wilson B-value (Å2) | 23.4 | 15.1 | 14.3 |
|
| |||
| Average B-factors (Å2) | |||
| Protein | 17.8 | 13.4 | 12.9 |
| Ligands | 20.0 | 14.7 | 14.9 |
| Solvent | 32.3 | 29.0 | 26.9 |
|
| |||
| Ramachandran (%) | |||
| Most favored | 96.4 | 96.5 | 97.6 |
| Additionally allowed | 3.6 | 3.5 | 2.4 |
| Generously allowed | 0 | 0 | 0 |
| Disallowed | 0 | 0 | 0 |
|
| |||
| r.m.s. deviations | |||
| Bond lengths (Å) | 0.014 | 0.022 | 0.012 |
| Bond angles (°) | 2.20 | 2.85 | 2.09 |
a
Values in parentheses are for the highest resolution bin