Table 1 Crystallographic data collection, phase determination, solvent flattening and refinement statistics (all values in parenthesis are for the highest resolution bin)
From: Crystal structure of the fibre head domain of bovine adenovirus 4, a ruminant atadenovirus
Data collection | Native | Derivative |
|---|---|---|
Cell parameters (a, b, c) (Ã…) | 43.3, 48.2, 52.1 | 43.4, 48.4, 52.6 |
Cell parameters (α, β, γ) (°) | 117.1, 95.6, 110.2 | 116.9, 95.8, 110.2 |
Wavelength (Ã…) | 0.9763 | 1.0023 |
Resolution (Å) | 44.2–1.17 (1.21–1.17) | 26.2–1.40 (1.42–1.40) |
Observed reflections | 103174 (9613) | 62174 (2058) |
Multiplicity | 3.6 (3.5) | 3.4 (3.2) |
Completeness (%) | 91.2 (86.7) | 92.6 (61.0) |
Rmerge (%) | 3.6 (43.1) | 4.8 (22.4) |
<I/sigma(I)> | 15.7 (2.6) | 12.5 (3.8) |
Wilson B (Ã…2) | 10.5 | 12.0 |
CC1/2 | 1.000 (0.842) | 0.995 (0.894) |
CCanom | −0.078 (0.008) | 0.442 (0.131) |
Phase determination | ||
Number of heavy atom sites | Â | 6 Hg |
Phasing power (isomorphous/anomalous) | Â | 2.290/1.716 |
Figure of merit | Â | 0.601 |
Solvent flattening (40.8Â % solvent) | ||
Hand score (original/inverted) | Â | 0.3647/0.8403 |
Overall correlation on |E|2/contrast | Â | 2.6012 |
Refinement | ||
Resolution range (Å) | 44.2–1.17 (1.22–1.17) |  |
No. reflections used in refinement | 100391 (11648) | Â |
No. reflections used for R-free | 2782 (311) | Â |
R-factor (%) | 11.6 (21.7) | Â |
R-free (%) | 14.6 (23.9) | Â |
No. of protein/solvent atoms | 2841/448 | Â |
Average B protein/solvent atoms (Ã…2) | 18.7/35.5 | Â |
Ramachandran plot (favoured/allowed) (%) | 98.0/99.7 | Â |
R.m.s. deviation of bonds (Å) and angles (°) | 0.012/1.5 |  |
PDB code | 4UE0 | Â |