Table 2.

Summary of Crystallographic Data

	BoNT/A Lc425 – Aa1 VHH
PBD Code	3K3Q
Space group	C2
Unit Cell (Å)	a=168.2, b=48.8, c=103.6
X-ray Source	APS GM/CA, 1.03 Å λ
Resolution Limits (Å)	40.0-2.6 (2.64-2.60)
Reflections
Total Collected	64,075
Unique	22,641
Redundancy	2.8 (1.9)
I/σ	7.3 (2.2)
Completeness (%)	96.5 (83.9)
Rsym (%)	11.7 (31.4)
Refinement
Resolution Range (Å)	40.0 – 2.6
R-work (%)	21.8
R-free (%)	25.6
Ramachandran
Favored	388
Allowed	86
Generous	0
Disfavored	0

Data in parentheses are for the highest resolution shell.

R-free was computed using 5% of the data.

Ramachandran statistics do not include Gly and Pro residues.