TABLE 1.
Statistics of crystallographic data and structure refinement
| Statistics | Value(s)a |
|---|---|
| Crystal diffraction statistics | |
| Wavelength (Å) | 1.00 |
| Resolution range (Å) | 30.0-3.10 (3.21-3.10) |
| Space group | P3121 |
| Unit cell parameters (Å) | |
| a | 199.63 |
| c | 317.42 |
| Completeness (%) | 91.9 (93.9) |
| I/σ(I) | 13.63 (3.64) |
| Average redundancy | 4.6 |
| No. of unique reflections | 105,084 |
| Rsym (%) | 10.2 (44.6) |
| Mosaicity | 0.39 |
| No. of molecules per ASUb | 6 |
| Solvent content (%) | 48.06 |
| Structure refinement statistics | |
| Resolution range (Å) | 30-3.1 |
| Rwork/Rfree (%) | 19.3/24.6 |
| No. of water molecules | 69 |
| RMSD from ideal geometry | |
| Bond length (Å) | 0.06 |
| Bond angle (°) | 1.05 |
| Chirality (°) | 0.08 |
| Average B-factors (Å2) | 45.37 |
| Main chain | 45.48 |
| Side chain and water | 45.25 |
a
Values in parentheses are for the highest-resolution shell.
b
ASU, asymmetric unit.