TABLE 1.
Crystallographic data collection and refinement statistics
| Parameters | Values |
|---|---|
| Space group | C2221 |
| Cell dimensions (Å) | 53.74 |
| 55.55 | |
| 105.21 | |
| Temperature (K) | 100 |
| Wavelength (Å) | 1.5418 |
| Resolution (Å) | 31.13-1.80 (1.86-1.80)a |
| Unique reflections | 14,176 |
| Redundancy | 4.1 (2.3)a |
| Rsymb (%) | 7.2 (36.6)a |
| Completeness (%) | 94.4 (72.0)a |
| I/σ(I) | 10.7 (2.1)a |
| Calculated solvent content (%) | 51.1 |
| Refinement program | REFMAC 5 |
| R factorc (%) | 18.4 |
| Rfree (%) | 23.3 |
| r.m.s. deviation from ideal bond lengths (Å) | 0.02 |
| r.m.s. deviation from ideal angles (degrees) | 1.9 |
| Average B factor (Å2) | 22.9 |
| Non-Gly/Pro residues in most favored regions | 92.3% (96/104) |
| Non-Gly/Pro residues in additionally allowed regions | 4.8% (5/104) |
| Non-Gly/Pro residues in disallowed regions | 2.9% (3/104) |
a Values in parentheses are for the outermost shell.
Rsym = Σ|Ih − 〈Ih〉|/ΣIh.
R factor = Σ(|Fo| − |Fc|)/Σ|Fo|.