Table 1 Data collection and refinement statistics
From: Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity
HPV33 | HPV52 | H58-33BC | H58-33BC-52HI | |
|---|---|---|---|---|
Data collection | ||||
Space group | P21 | C2 | P21 | P1 |
Cell dimensions | ||||
a, b, c (Å) | 98.8, 171.9, 145.7 | 306.8, 105.1, 196.9 | 153.7, 105.8, 154.7 | 136.5, 209.8, 212.6 |
α, β, γ (°) | 90.0, 97.0, 90.0 | 90.0, 125.8, 90.0 | 90.0, 99.5, 90.0 | 60.5, 85.1, 90.1 |
Resolution (Å) | 50.0–2.9 (2.97–2.92)a,b | 50.0–2.7 (2.80–2.75) | 50.0–2.5 (2.54–2.50) | 50.0–3.5 (3.56–3.50) |
Rsym (%) | 9.5 (75.1) | 19.9 (123.8) | 13.4 (83.3) | 17.1 (64.5) |
I / σI | 14.2 (2.1) | 12.1 (1.8) | 11.1 (1.8) | 4.8 (1.3) |
Completeness (%) | 99.8 (99.9) | 99.9 (100.0) | 99.8 (99.7) | 97.0 (87.2) |
Redundancy | 3.7 (3.7) | 7.6 (7.6) | 3.7 (3.7) | 1.9 (1.8) |
Refinement | ||||
Resolution (Å) | 48.2–2.9 | 42.7–2.8 | 40.8–2.5 | 40.4–3.5 |
No. reflections | 105,166 | 131,736 | 169,776 | 248,099 |
Rwork / Rfree | 21.0/24.0 | 18.7/23.5 | 18.2/21.6 | 31.5/34.0 |
No. atoms | 33,033 | 33,256 | 34,661 | 133,168 |
Protein | 33,033 | 33,256 | 33,241 | 133,168 |
Water | — | — | 1420 | — |
B-factors | 76.1 | 53.0 | 40.7 | 105.5 |
Protein | 76.1 | 53.0 | 40.9 | 105.5 |
Water | — | — | 35.0 | — |
R.m.s. deviations | ||||
Bond lengths (Å) | 0.003 | 0.007 | 0.004 | 0.003 |
Bond angles (°) | 0.65 | 0.93 | 0.67 | 0.62 |
