Table 1. Refinement statistics.
Values in parentheses are for the last resolution shell.
| Space group | C2 |
| Unit-cell parameters (, ) | a = b = 146.21, c = 298.35, = 90.07 |
| Data-collection temperature (K) | 100 |
| Resolution () | 302.43 (2.472.43) |
| Reflections measured | 496579 |
| Unique reflections | 170447†/61810‡ |
| Completeness (%) | 99.8 (99.2)§ |
| Multiplicity | 8.0 (7.1)§ |
| Refinement program | REFMAC5 |
| Unique reflections (work + test) | 232268§ |
| Test reflections | 3077 |
| Molecules in asymmetric unit | |
| Protein | 28 |
| ANS | 89 |
| No. of atoms | |
| Protein | 35224 |
| Ligand | 1899 |
| Water | 35 |
| Metal | 15 |
| B (2) | |
| Protein | 47.3 |
| Ligand | 39.9 |
| Water | 27.6 |
| Metal | 44.0 |
| R work/R free (%) | 22.3/27.8 |
| R.m.s.d. from ideal geometry | |
| Bond lengths () | 0.015 |
| Bond angles () | 2.18 |
| Ramachandran statistics¶ (%) | |
| Favoured | 91.80 |
| Allowed | 7.04 |
| Outliers | 1.16 |
| PDB code | 4n3e |
†
Scaled in C2 symmetry.
‡
Scaled in P422 symmetry.
§
After expansion from P422 symmetry.
¶
Assessed with MolProbity (Chen et al., 2010 ▶).