Table 1 Data collection and refinement statistics
From: An engineered AAV targeting integrin alpha V beta 6 presents improved myotropism across species
αVβ6 + TGF-β3 peptide (PDB: 4UM9)37 | αVβ6 + proTGF-β1 (PDB: 5FFO)36 | |
|---|---|---|
Data collection | ||
Space group | C2 | P1 |
Cell dimensions | ||
a, b, c (Å) | 184.4, 170.0, 102.4 | 81.4, 91.4, 131.0 |
α, β, γ (°) | 90, 98.7, 90 | 90.0, 86.3, 89.9 |
Resolution (Å) | 50.0–2.60 (2.69–2.60)* | 50.0–3.50 (3.64–3.50)* |
Rmerge | 12.9 (198) | 16.8 (178.8) |
I / σI | 4.9 (0.5) | 4.6 (0.4) |
Completeness (%) | 96.4 (96.6) | 94.6 (97.1) |
Redundancy | 2.4 (2.4) | 1.8 (1.8) |
Refinement | ||
Resolution (Å) | 50.0–2.60 | 50.0-3.50 |
No. reflections | 91,038 (9,101) | 45,279 (3,450) |
Rwork / Rfree | 21.4 (37.1) / 25.9 (37.3) | 23.2 (30.2)/27.9 (33.9) |
No. atoms | ||
Protein | 16,626 | 22945 |
Ligand/ion | 166/14 | 936 |
Water | 230 | 5 |
B-factors | ||
Protein | 76.0 | 216.70 |
Ligand/ion | 84.7/71.9 | 248.40 |
Water | 51.1 | 142.30 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.009 | 0.007 |
Bond angles (°) | 1.3 | 0.8 |
