TABLE 1 

Data collection and refinement statistics of XcpQN012 and XcpQN012-vHH04 complexa

Data collection and refinement
parameters
XcpQN012XcpQN012-vHH04
Data collection
    PDB ID5NGI5MP2
    SourceSoleil PX 1Soleil PX 2
    Space groupP21P1
    Cell (Å; °) a = 40.4, b = 122.25, c = 55.44,
β = 109.0
a = 40.06, b = 63.79, c = 76.05,
α = 104.37, β=100.61, γ = 108.04
    No. of monomers22/2
    Resolution limits (Å)48.2–2.98 (3.16–2.98)38.75–2.9 (3.13–2.9)
    Rmerge0.058 (0.70)0.134 (0.53)
    CC1/20.998 (0.896)0.989 (0.45)
    Unique reflections10,400 (1,659)14,042 (2,926)
    Mean (I) (SD)14.9 (2.0)6.2 (1.4)
    Completeness (%)99.3 (98.2)95.2 (97.2)
    Multiplicity4.5 (4.4)2.0 (2.1)
Refinement
    Resolution (Å)48.2–2.98 (3.33–2.98)38.75–2.9 (3.13–2.9)
    No. of reflections10,394 (2,791)14,039 (2,923)
    No. of protein/water/ion atoms3,022/134,904/124/0
    No. of test set reflections520732
    Rwork/Rfree0.203/0.228 (0.249/0.315)0.204/0.253 (0.246/0.38)
    RMSD bonds (Å)/angles (°)0.010/1.230.012/1.20
    B-Wilson/B-mean Å125/13771/61.9
    Ramachandran: preferred/allowed/outliers (%)96.4/3.6/096.8/3.2/0
  • a Numbers in parentheses refer to the highest-resolution bin.