Table 2 Crystallographic statistics
From: CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches
Structure | ABBV-323 Fab alone | CD40 complexed to ABBV-323 | CD40 complexed to FAB516 |
|---|---|---|---|
PDB code | 6PE7 | 6PE8 | 6PE9 |
Data Collection | |||
Resolution (Å) | 132.6–1.74 | 126.9–2.84 | 167.5–3.13 |
Space Group | C2221 | P21212 | C2 |
Unit Cell Lengths (a, b, c; Å) Angles (°) | 63.7 130.4 132.6 | 173.3 76.0 126.1 | 254.8 224.0 111.4 β = 98.0 |
Unique reflections | 56956 | 40335 | 108254 |
Overall Statistics (Highest Shell) | |||
Rmerge (%) | 0.041 (0.94) | 0.11 (0.974) | 0.108 (0.632) |
I/σI | 25.5 (2.2) | 15.8 (2.3) | 11.2 (2.1) |
Data completeness (%) | 100 (100) | 100 (100) | 99.4 (98.6) |
Mean multiplicity | 6.6 (6.6) | 6.6 (6.8) | 3.4 (3.2) |
CC(1/2) | 1.00 (0.79) | 1.00 (0.72) | 0.99 (0.76) |
Refinement | |||
Resolution (Å) | 24.4–1.74 | 38.0–2.84 | 35.3–3.13 |
Reflections used in refinement | 56860 | 40063 | 107879 |
Rcryst (%) | 19.6 | 20.5 | 21.6 |
Rfree (%) | 23.0 | 26.5 | 25.5 |
R.m.s. deviations, bond lengths (Å), bond angles (°) | 0.005, 0.865 | 0.010, 1.13 | 0.010, 1.13 |
Ramachandran Favored regions (%) | 97.7 | 94.9 | 93.6 |
Outliers (%) | 0.23 | 0.17 | 0.21 |