Table II.
Data Processing and Refinement Statistics
| A. Data processing | |
| Space group | P3221 |
| Unit cell dimensions (Å) | |
| a, b | 31.15 |
| c | 57.32 |
| Resolution (Å) | 19.64–1.6 (1.66–1.6)a |
| Unique reflections | 4104(176) |
| Completeness (%) | 89.7(37.7) |
| Redundancyb | 3.2(1.3) |
| Rsym (%)b | 5.9(24.0) |
| I/σ(I)b | 31.1(2.0) |
| B. Refinement | |
| Rwork (%) | 25.77 |
| Rfree (%) | 28.72 |
| Root mean square (RMS) deviations from ideality | |
| Bond lengths (Å) | 0.005 |
| Bond angles (°) | 0.9 |
| Dihedrals (°) | 15.7 |
| Impropers (°) | 0.59 |
| Average B-factors (Å2) | |
| Main-chain | 26.25 |
| Side-chain | 26.69 |
| 23 water molecules | 44.15 |
| Wilson plot | 29.40 |
| Ramachandran plot | |
| Residues in most favored regions | 100.0% |
| Residues in additional allowed regions | 0.0% |
| Residues in generously allowed regions | 0.0% |
| Residues in disallowed regions | 0.0% |
a
Values in parentheses refer to the highest resolution shell.
b
The values corresponding to these parameters were obtained by data processing using space group P32.