TABLE 1.
Data collection and refinement statistics.
| Apo-EcPsuK (7VKP) |
EcPsuK-Ψ (7VSK) |
EcPsuK-m1Ψ(7W93) | |
| Data collection | |||
| Wavelength | 0.97915 | 0.97853 | 0.97915 |
| Space group | P6322 | P6322 | P6322 |
| Cell dimension | |||
| a, b, c (Å) | 186.18, 186.18, 52.21 | 182.634, 182.634, 51.228 | 185.83, 185.83, 52.51 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 30.0–2.30 (2.38–2.30)* | 30.0–2.30 (2.38–2.30) | 30.0–1.90 (2.00–1.90) |
| R merge | 0.148 (0.520) | 0.137 (0.454) | 0.146 (1.462) |
| I/σI | 22.25 (3.5) | 13.67 (3.0) | 15.8 (2.2) |
| Completeness (%) | 99.9 (99.9) | 99.5 (98.2) | 98.5 (97.1) |
| Redundancy | 21.0 (9.6) | 17.7 (8.3) | 28.2 (21.6) |
| Refinement | |||
| Resolution (Å) | 30.0–2.30 | 30.0–2.30 | 30.0–1.90 |
| No. reflections | 22,978 | 21,673 | 41,719 |
| Rwork/Rfree | 0.219/0.249 | 0.228/0.275 | 0.196/0.215 |
| No. atoms | 2,373 | 2,140 | 2,532 |
| Protein | 2,321 | 2,059 | 2,386 |
| Ligand/Water | 52 | 81 | 146 |
| B-factors | 42.82 | 40.03 | 51.26 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.008 | 0.008 | 0.009 |
| Bond angles (°) | 0.939 | 0.988 | 1.098 |
| Ramachandran plot | |||
| Favored/allowed (%) | 95.74/4.26 | 95.15/4.85 | 96.72/3.28 |
*Highest resolution shell is given within parentheses.