Table 1. X-ray data-collection and refinement statistics for α-DsbA2ΔN.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Wavelength (Å) | 0.9537 |
| Resolution range (Å) | 19.77–2.25 (2.32–2.25) |
| Space group | P21 |
| a, b, c (Å) | 54.4, 104.8, 67.7 |
| α, β, γ (°) | 90.0, 96.5, 90.0 |
| No. of molecules in asymmetric unit | 4 |
| Observed reflections | 132099 |
| Unique reflections | 35423 (3209) |
| R merge | 0.051 (0.265) |
| R p.i.m. | 0.038 (0.187) |
| Completeness (%) | 99.04 (97.8) |
| 〈I/σ(I)〉 | 13.6 (3.9) |
| Multiplicity | 3.8 (3.6) |
| Refinement statistics | |
| R factor (%) | 22.7 (20.9) |
| R free (%) | 27.8 (25.3) |
| Unique reflections | 35423 |
| No. of non-H atoms | |
| Total | 6064 |
| Protein | 5799 |
| Water | 265 |
| Average B factor (Å2) | 58.0 |
| R.m.s.d. from ideal geometry | |
| Bonds (Å) | 0.002 |
| Angles (°) | 0.447 |
| MolProbity analysis | |
| Ramachandran favoured/outliers (%) | 97.12/0.0 |
| Clashscore all atoms [percentile] | 3.38 [99th] |
| MolProbity score [percentile] | 1.36 [99th] |