Table 3.
Processing and refinement statistics for X‐ray crystallographic structures
| Structure | HsaD – 2 | HsaD – 27 | HsaD – 32 |
|---|---|---|---|
| PDB code | 5JZB | 5JZ9 | 5JZS |
| Space group | I 212121 | I 212121 | I 212121 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| a, b, c (Å) | 82.03, 82.23, 194.25 | 81.73, 82.32, 193.58 | 81.92, 82.27, 195.13 |
| Processing statistics | |||
| Resolution range (Å) | 50.9–2.1 | 75.75–2.68 | 97.57–2.27 |
| Unique reflections a | 38 700 | 18 699 (2445) | 30 015 (2024) |
| R merge | 0.134 (0.469) | 0.231 (0.895) | 0.109 (0.453) |
| <I/σ(I)>a | 8 (2.6) | 4.4 (1.5) | 7.7 (1.4) |
| Completeness %a | 100 (100) | 99.6 (99.0) | 99.3 (57.4) |
| Multiplicity a | 6.3 (5.3) | 4.4 (4.5) | 4.9 (3.1) |
| Refinement statistics | |||
| R work % | 23.51 | 24.05 | 23.48 |
| R free % | 20.55 | 21.27 | 20.25 |
| RMS bond angle (°) | 1.28 | 0.89 | 1.20 |
| RMS bond length (Å) | 0.005 | 0.004 | 0.009 |
| Ramachandran statisticsb | |||
| Preferred region % | 97.5 | 98.2 | 98.6 |
| Allowed region % | 2.3 | 1.8 | 1.4 |
| Outliers % | 0.2 | 0 | 0 |
a
Numbers in parentheses are for the highest resolution shell.
b
Ramachandran statistics were calculated using MolProbity (Chen et al., 2010).