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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) (Å) 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 (Å) 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 (Å2) 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   6 Hg
Phasing power (isomorphous/anomalous)   2.290/1.716
Figure of merit   0.601
Solvent flattening (40.8 % solvent)
Hand score (original/inverted)   0.3647/0.8403
Overall correlation on |E|2/contrast   2.6012
Refinement
Resolution range (Å) 44.2–1.17 (1.22–1.17)  
No. reflections used in refinement 100391 (11648)  
No. reflections used for R-free 2782 (311)  
R-factor (%) 11.6 (21.7)  
R-free (%) 14.6 (23.9)  
No. of protein/solvent atoms 2841/448  
Average B protein/solvent atoms (Å2) 18.7/35.5  
Ramachandran plot (favoured/allowed) (%) 98.0/99.7  
R.m.s. deviation of bonds (Å) and angles (°) 0.012/1.5  
PDB code 4UE0