Table 2 Data collection and refinement statistics (molecular replacement)
From: Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization
bnD.8–V3 (BF520) (PDB 7Z7C) | bnD.9–V3 (BG505)( PDB 8AED) | |
|---|---|---|
Data collection | ||
Space group | C2 | P21 |
Cell dimensions | ||
a, b, c (Å) | 96.22, 40.60, 45.63 | 50.79, 55.23, 58.03 |
α, β, γ (°) | 90.0, 113.90, 90.0 | 90.0, 98.54, 90.0 |
Resolution (Å) | 41.72–1.22 | 57.39–1.17 |
(1.27–1.22) | (1.25–1.17) | |
Rsym or Rmerge | 0.057 (1.055) | 0.071 (0.562) |
I / σI | 13.0 (1.5) | 12.3 (1.8) |
Completeness (%) | 95.2 (90.0) | 74.6 (20.4) |
Redundancy | 6.8 (6.9) | 6.2 (3.5) |
Refinement | ||
Resolution (Å) | 1.22 | 1.17 |
No. reflections | 45,596 (4,269) | 79,873 (1,718) |
Rwork / Rfree | 0.147 (0.536) / 0.196 (0.493) | 0.154 (0.258) / 0.184 (0.272) |
No. atoms | 1,562 | 3,411 |
Protein | 1,397 | 2,865 |
Ligand/ion | 12 | 93 |
Water | 153 | 493 |
B factors | 30.81 | 15.61 |
Protein | 29.33 | 13.16 |
Ligand/ion | 34.93 | 19.63 |
Water | 43.98 | 29.43 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.017 | 0.005 |
Bond angles (°) | 1.87 | 0.84 |
