Table 1. Data collection and refinement statistics for Fab JAA-F11.
Data collection | |
Space group | P43212 |
Cell dimensions | |
a, b, c (Å) | 94.2, 94.2, 95.0 |
α, β, γ (°) | 90°, 90°, 90° |
Resolution (Å) | 30.0–2.1 |
R merge (%) | 9.6 (43.3)a |
<I/σ(I)> | 9.6 (2.0) |
Completeness (%) | 99.0 (98.2) |
Redundancy | 10.5 (9.5) |
Refinement | |
Resolution (Å) | 30.0–2.1 |
Number of reflections | 24063 |
R work/R free | 18.5/26.2 (19.9/29.9) |
Number of atoms | |
Protein | 3342 |
Ligands | 20 |
Water | 176 |
Average B-factors | |
Protein (Å2) | 21.0 |
Ligands (Å2) | 54.8 |
Water (Å2) | 24.3 |
RMS deviations | |
Bond lengths (Å) | 0.02 |
Bond angles (°) | 1.9 |
Values in parentheses are for highest-resolution shell (2.2–2.1 Å).