Table 2. Data collection and refinement statistics.
| Data collection | |
|---|---|
| Space group | C2221 |
| Resolution (Å) | 50.0 - 2.12 (2.16 - 2.12)a |
| Unit cell dimensions | |
| a, b, c (Å) | 95.81, 111.38, 211.54 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 1.0332 |
| No. molecules in asymmetric unit | 2 |
| Completeness (%) | 94.5 (88.9) |
| Multiplicity | 6.1 (5.9) |
| Rmerge | 0.056 (0.311) |
| <I/σI)> | 28.7 (5.1) |
| Refinement | |
| Resolution range (Å) | 49.3 - 2.12 |
| No. reflections | 58717 |
| R work/ R free | 0.199/0.237 |
| No. protein atoms | 6153 |
| No. peptide atoms | 175 |
| No. of waters | 190 |
| Average B-factor (Å2) | |
| Protein | 26.0 |
| Peptide | 33.2 |
| Water | 27.0 |
| Geometry | |
| R.m.s. deviation bonds (Å) | 0.008 |
| R.m.s. deviation angles (°) | 1.144 |
| Ramachandran plot (%)b | 98.8, 1.2, 0.0 |
a
Values in parentheses are for the highest resolution shell.
b Favored, allowed and disallowed regions of the Ramachandran plot [44].