TABLE 1 .

Data collection and refinement statistics

Parameter	Value(s) fora:
	CaPPZ1	CaPPZ1–microcystin-LR
Data collection
Space group	C2221	P3221
Cell dimensions
a, b, c (Å)	145.0, 183.7, 69.0	50.7, 50.7, 201.1
α, β, γ (°)	90, 90, 90	90, 90, 120
Resolution (Å)	50.0–2.61 (2.66–2.61)	50.0–2.40 (2.44–2.40)
Rmerge (%)	13.3 (84.5)	6.6 (19.7)
I/σ〈I〉	14.1 (2.1)	30.6 (4.6)
Completeness (%)	99.9 (100.0)	98.5 (84.2)
Redundancy	5.6 (5.6)	6.1 (2.7)
Refinement
Resolution (Å)	36.24–2.61	43.9–2.40
No. of reflections	28,311	12,283
Rwork/Rfree	19.4/22.2	17.9/23.5
No. of atoms
Protein	4,922	2,314
Ligand/ion	32	23
Microcystin-LR	NAb	71
Water	220	50
B-factors
Protein	33.0	30.8
Ligand/ion	29.9	46.6
Microcystin	NA	35.5
Water	30.9	30.1
RMSDs
Bond lengths (Å)	0.002	0.003
Bond angles (°)	0.72	0.57
Ramachandran plot (%)
Favored regions	96.1	96.5
Allowed regions	3.8	3.5
Disallowed regions	0.2	0.0
PDB accession no.	5JPE	5JPF

^aValues in parentheses are for the highest-resolution shell.

^bNA, not applicable.