TABLE 1 

Data collection and refinement statistics

ParameterValue(s) fora:
CaPPZ1CaPPZ1–microcystin-LR
Data collection
    Space groupC2221P3221
    Cell dimensions
        a, b, c (Å)145.0, 183.7, 69.050.7, 50.7, 201.1
        α, β, γ (°)90, 90, 9090, 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〈I14.1 (2.1)30.6 (4.6)
    Completeness (%)99.9 (100.0)98.5 (84.2)
    Redundancy5.6 (5.6)6.1 (2.7)
 
Refinement
    Resolution (Å)36.24–2.6143.9–2.40
    No. of reflections28,31112,283
    Rwork/Rfree19.4/22.217.9/23.5
    No. of atoms
        Protein4,9222,314
        Ligand/ion3223
        Microcystin-LRNAb71
        Water22050
    B-factors
        Protein33.030.8
        Ligand/ion29.946.6
        MicrocystinNA35.5
        Water30.930.1
    RMSDs
        Bond lengths (Å)0.0020.003
        Bond angles (°)0.720.57
    Ramachandran plot (%)
        Favored regions96.196.5
        Allowed regions3.83.5
        Disallowed regions0.20.0
    PDB accession no.5JPE5JPF
  • a Values in parentheses are for the highest-resolution shell.

  • b NA, not applicable.