Table 2.
Crystallographic data collection and structure refinement statistics
| Crystallographic data | Maltododecaose-bound rice branching enzyme I |
|---|---|
| PDB ID | 7ML5 |
| Data statistics | |
| Resolution range | 39.68–2.35 (2.434–2.35) |
| Space group | P 21 21 21 |
| Unit cell | a = 47.67, b = 80.107, c = 182.716, α = 90, β = 90, γ = 90 |
| Molecules per asymmetric Unit | 1 |
| Total reflections | 1,126,122 |
| Unique reflections | 28,616 (2155) |
| Completeness (%) | 95.24 (73.45) |
| Average I/σ | 14.7 (3.0) |
| Rmerge(%) | 9.1 (32) |
| Refinement statistics | |
| Wilson B-factor | 36.88 |
| Reflections used in refinement | 28,614 (2155) |
| Reflections used for R-free | 1457 (111) |
| R-work | 0.1648 (0.2310) |
| R-free | 0.2314 (0.3233) |
| Structure statistics | |
| Number of non-hydrogen atoms | 5904 |
| Macromolecules atoms | 5528 |
| Ligands atoms | 178 |
| Solvent atoms | 198 |
| Protein residues | 678 |
| RMS (bonds) | 0.003 |
| RMS (angles) | 0.61 |
| Ramachandran favored (%) | 96.88 |
| Ramachandran allowed (%) | 2.82 |
| Ramachandran outliers (%) | 0.30 |
| Rotamer outliers (%) | 1.38 |
| Clash score | 5.52 |
| Average B-factor | 37.32 |
| Macromolecules | 36.76 |
| Ligands | 52.51 |
| Solvent | 39.25 |