. Author manuscript; available in PMC: 2016 Aug 31.

Published in final edited form as: FEBS Lett. 2006 Aug 10;580(20):4877–4883. doi: 10.1016/j.febslet.2006.07.086

Table 1.

Data collection and refinement statistics

Data collection
Resolution limits	1.8–60.0/1.8–1.85
% of data> 1σ (overall/last shell)^a	97.1 (89.1)
Overall I/σ (I) (overall/last shell)^a	13.7 (2.3)
R-merge (%) (overall/last shell)^a	8.9 (32.7)
Refinement
Protein/ligand/solvent atoms	2684/20/449
Resolution limits (Å)	1.8–60
R-/R-free value (%)	17.1/21.0
r.m.s.d. on bonds (Å) and angles (°)	0.011/1.3
Mean B factor (Å²) protein	15.2
Vaccenic acid	27.2

Last shell: 1.8–1.85Å.