TABLE 1.

Data and refinement statistics

StatisticsValue(s)a
Data statistics
    Space groupP31
    Unit cell dimensionsa = b = 104.16 Å, c = 86.91 Å; α = β = 90°, γ = 120°
    Resolution range (Å)25.32-2.25 (2.30-2.25)
    Completeness of data (%)99.96 (99.9)
    Redundancy of data4.5 (4.4)
    I41.8 (5.34)
    Rmerge0.076 (0.572)
Refinement statistics
    Resolution (Å)2.25
    No. of unique reflections47,650 (3,506)
    R (%)21.7 (27.8)
    Rfree (%)26.4 (32.5)
    Asymmetric unitTrimer of dimers
    No. of nonhydrogen protein atoms6,729
    No. of water molecules213
    Mean B-factor
        Protein48.3
        Water48.8
    Ramachandran plot—residues in:
        Most favored regions (%)89.1
        Additionally allowed regions (%)8.7
        Generously allowed regions (%)1.1
        Disallowed region (%)1.1
    Nonideality of:
        Bond angles (°)1.926
        Bond lengths (Å)0.020
  • a Values in parentheses are for the highest-resolution shell.