Table 1 Data collection and refinement statistics
From: Structural insights into SorCS2–Nerve Growth Factor complex formation
sSorCS2 | sSorCS2–NGF | |
|---|---|---|
Data collection | ||
Space group | C2221 | C2 |
Cell dimensions | ||
a, b, c (Å) | 138.8, 329.3, 131.4 | 229.8, 117.7, 90.0 |
α, β, γ (°) | 90, 90, 90 | 90, 111.9, 90 |
Resolution (Å) | 49.20–4.20 (4.53–4.20)a | 60.84–3.90 (4.27–3.90) |
R merge | 0.178 (1.10) | 0.269 (1.07) |
I / σI | 5.6 (1.5) | 5.8 (1.7) |
Completeness (%) | 99.8 (99.6) | 99.9 (99.6) |
Redundancy | 6.3 (6.5) | 6.0 (6.1) |
CC 1/2 | 0.996 (0.670) | 0.992 (0.572) |
Refinement | ||
Resolution (Å) | 49.20–4.20 | 60.68–3.90 |
No. reflections | 22,379 | 20,410 |
Rwork/Rfree | 0.247/0.291 | 0.257/0.303 |
No. atoms | ||
Protein | 14,558 | 9030 |
Ligand/ion | 154 | 81 |
Water | 0 | 0 |
B-factors (Å2) | ||
Protein | 196 | 134 |
Ligand/ion | 228 | 174 |
Water | n.a. | n.a. |
RMS deviations | ||
Bond lengths (Å) | 0.002 | 0.003 |
Bond angles (°) | 0.59 | 0.61 |
Ramachandran | ||
Favored (%) | 90.7 | 89.1 |
Outliers (%) | 0.0 | 0.0 |
Rotamer | ||
Outliers (%) | 1.3 | 1.57 |
Molprobity score | 1.78 | 2.07 |
