Table 2. Crystallographic data collection and structural refinement statistics.
| NefSF2 (45-210,Δ158-178) – NI1-2 | NefSF2 (45-210,Δ158-178) – NI3-13 | |
| Data collection 1 | ||
| Space group | P41212 | P61 |
| Cell dimensions | ||
| a, b, c (Å) | 65.69, 65.69, 279.07 | 112.46, 112.46, 130.03 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 120 |
| Wavelength | 0.9 | 0.9763 |
| Resolution (Å)2 | 50 – 2.0 (2.1 – 2.0) | 20 – 3.45 (3.55 – 3.45) |
| R merge | 5.2 (27.5) | 6.6 (30.5) |
| I/σ (I) | 18.2 (4.4) | 16.6 (3.9) |
| Completeness (%) | 100 (100) | 99.9 (100) |
| Redundancy | 26.6 (23.4) | 12.6 (12.8) |
| Refinement | ||
| Resolution (Å) | 50 – 2.0 (2.05 – 2.0) | 20 – 3.45 (3.71 – 3.45) |
| No. reflections | 40486 (3095) | 12282 (2442) |
| R work | 16.8 (20.0) | 21.6 (28.0) |
| R free | 20.5 (21.7) | 24.3 (35.5) |
| No. atoms | ||
| Protein | 3084 | 2761 |
| Water | 331 | – |
| B-factors | ||
| Protein | 39 | 132 |
| Water | 46 | – |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.026 | 0.016 |
| Bond angles (°) | 1.823 | 1.584 |
| PDB entry code | 3REA | 3REB |
1
All data sets were collected from one single crystal.
2
Values in parentheses refer to the highest resolution shell.