Table 1. Statistics of data processing and model refinement.
Values in parentheses are for the highest resolution shell.
| Space group | C2221 |
| Unit-cell parameters () | |
| a | 76.68 |
| b | 80.06 |
| c | 86.85 |
| Wavelength () | 1.542 [CuK] |
| Resolution range () | 501.78 (1.811.78) |
| No. of reflections recorded | 79999 |
| No. of unique reflections recorded | 25578 (1243) |
| Multiplicity | 3.1 (3.0) |
| Completeness (%) | 98.32 (96.33) |
| Mean I/(I) | 37.20 (18.94) |
| Wilson B factor (2) | 18.77 |
| R merge (%) | 5.0 (17.9) |
| R factor (%) | 16.20 (20.93) |
| R free (%) | 20.10 (23.98) |
| No. of atoms | |
| Total | 2692 |
| Protein | 2171 |
| Ligands | 86 |
| Water | 435 |
| Protein residues | 287 |
| R.m.s.d., bonds () | 0.007 |
| R.m.s.d., angles () | 1.06 |
| Ramachandran favored (%) | 99 |
| Ramachandran outliers (%) | 0 |
| Clashscore | 4.90 |
| Average B factor (2) | |
| Overall | 19.70 |
| Protein | 17.90 |
| Solvent | 29.30 |