| Parameter | 17β-HSD1-EM-139 |
| Data Collection |
|
| Space group | I121 |
| Unit cell |
|
| a,b,c (Å) | 120.76, 42.19, 122.67 |
| α, β, γ (˚) | 90, 102.07, 90 |
| Resolution range (Å) | 35.67 - 2.00 (2.11 - 2.00)a |
| Number of reflections | 138,222 (20,278) |
| Unique reflections | 38,108 (5536) |
| Completeness (%) | 92.7 (92.5) |
| I/σ(I) | 8.5 (2.8) |
| Rmeansb | 0.086 (0.315) |
| Multiplicity | 3.6 (3.7) |
| Wilson B-factor (Å2) | 30.5 |
| Refinement |
|
| R-workc | 0.20 |
| R-freed | 0.24 |
| r.m.s.d |
|
| Bond lengths (Å) | 0.010 |
| Bond angles (˚) | 1.483 |
| Ramachandran plote (%) |
|
| Most favored regions | 94.4 |
| Additional allowed regions | 5.6 |
| Generously allowed regions | 0.0 |
| Disallowed regions | 0.0 |
| Average B, all atoms (Å2) | 42.0 |
| PDB ID | 6DTP |