Table 2. Neutron data-processing and refinement statistics for neutronOX .
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Wavelength range (Å) | 3.05–4.00 |
| No. of images | 20 |
| Setting spacing (°) | 7 |
| Average exposure time (h) | 18 |
| Space group | P213 |
| a = b = c (Å) | 97.98 |
| α = β = γ (°) | 90 |
| Resolution (Å) | 40–1.80 (1.90–1.80) |
| R p.i.m. (%) | 6.3 (12.7) |
| 〈I/σ(I)〉 | 7.9 (3.7) |
| Completeness (%) | 85.5 (69.8) |
| Multiplicity | 6.5 (2.9) |
| Refinement | |
| No. of unique reflections | 24728 |
| R work/R free (%) | 23.17/27.64 |
| No. of atoms | |
| Total | 5659 |
| Protein | 5109 |
| Cu | 2 |
| D2O | 182 D2O [546 atoms] |
| O | 2 |
| B factors (Å2) | |
| Protein | 15.2 |
| Cu | 8.6 |
| Water | 20.2 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 0.884 |
| PDB code | 6gtj |