Table 1 Crystallographic statistics
From: Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25
2530-Pfs25 | 2544-Pfs25 | 2586-Pfs25 | 2587-Pfs25 | gl2544 Fab | 2544 Fab | |
|---|---|---|---|---|---|---|
Wavelength (Å) | 0.97949 | 0.97949 | 0.97949 | 0.97949 | 0.97949 | 0.97949 |
Space group | P31 | P31 2 1 | P41 21 2 | P2 21 21 | C 1 2 1 | C 1 2 1 |
Cell dimensions | ||||||
a, b, c (Å) | 114.6, 114.6, 98.2 | 141.2, 141.2, 164.4 | 156.5, 156.5, 85.7 | 85.2, 110.3, 147.1 | 130.8, 60.6, 61.1 | 172.5, 43.7, 138.6 |
α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 | 90, 90, 90 | 90, 113.6, 90 | 90, 111.2, 90 |
Resolution (Å) | 40–2.0 (2.1–2.0) | 40–2.9 (3.0–2.9) | 40–3.1 (3.2–3.1) | 40–3.1 (3.2–3.1) | 40–2.0 (2.1–2.0) | 40–2.4 (2.5–2.4) |
No. of molecules in ASU | 2 | 2 | 1 | 2 | 1 | 2 |
No. of unique observations | 96,360 (13,044) | 42,529 (4085) | 19,905 (1770) | 25,850 (2305) | 29,727 (4002) | 38,316 (4305) |
Multiplicity | 4.1 (4.0) | 9.9 (10.4) | 13.1 (12.7) | 6.6 (6.5) | 6.7 (6.7) | 6.7 (6.9) |
Rmerge (%) | 10.6 (51.2) | 23.6 (83.2) | 29.3 (79.2) | 28.4 (78.4) | 8.2 (59.9) | 13.1 (72.4) |
Rpim (%) | 5.9 (28.8) | 8.8 (24.9) | 8.4 (23.0) | 11.9 (33.4) | 3.4 (24.7) | 5.5 (29.8) |
<I/σ I> | 9.5 (2.2) | 9.9 (1.4) | 8.3 (1.7) | 6.8 (1.4) | 13.6 (1.9) | 11.2 (1.6) |
CC½ | 99.7 (75.9) | 99.3 (53.3) | 98.6 (69.8) | 97.9 (54.3) | 99.9 (77.6) | 99.6 (54.9) |
Completeness (%) | 98.8 (98.2) | 99.9 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) |
Refinement statistics | ||||||
Non-hydrogen atoms | 10,194 | 9002 | 4483 | 8768 | 3442 | 6827 |
Macromolecule | 9073 | 8978 | 4483 | 8768 | 3239 | 6667 |
Water | 1057 | — | — | — | 197 | 124 |
Hetero | 64 | 24 | — | — | 6 | 36 |
Rfactor/Rfree | 18.1/21.1 | 20.5/23.8 | 20.5/23.1 | 24.1/26.5 | 18.6/23.6 | 21.3/24.7 |
Rms deviations | ||||||
Bond lengths (Å) | 0.002 | 0.002 | 0.002 | 0.002 | 0.002 | 0.003 |
Bond angle (°) | 1.18 | 0.58 | 0.51 | 0.54 | 0.58 | 0.63 |
Ramachandran plot | ||||||
Favored regions (%) | 96.2 | 96.5 | 96.4 | 96.1 | 98.1 | 97.7 |
Allowed regions (%) | 3.8 | 3.5 | 3.6 | 3.8 | 1.9 | 2.3 |
Outliers (%) | 0 | 0 | 0 | 0.1 | 0 | 0 |
B-factors (Å2) | ||||||
Average | 35.2 | 68.0 | 55.9 | 61.8 | 48.0 | 70.6 |
Macromolecule | 34.4 | 67.9 | 55.9 | 61.8 | 48.1 | 71.0 |
Water | 40.5 | — | — | — | 46.9 | 49.3 |
Hetero | 57.2 | 81.6 | — | — | 45.9 | 75.4 |
