Table 1 X-ray data collection and refinement statistics of V. vulnificus RRSP (PDB ID 5W6L).
CrystalRRSP
Data collection
  X-ray wavelength0.97872
  Space groupI23
  a, b, c (Å)247.1, 247.1, 247,1
  α, β, γ (°)90.00, 90.00, 90.00
  Resolution (Å)30 to 3.45 (3.51 to 3.45)*
  No. of unique reflections33,078 (1638)
  Data redundancy6.8 (5.9)
  Data completeness (%)100.0 (99.9)
  Rsym (%)11.3 (86.6)
  I/sig18.4 (2.0)
Refinement
  Resolution (Å)29.97 to 3.45
  No. of unique reflections31,061
  No. of reflections (Rfree)1562
  Rwork/Rfree (%)22.79:24.91
Number of atoms
  Protein7662
  Ligand/ion17
  Solvent15
RMS deviations
  Bond length (Å)0.009
  Bond angle (°)1.235
Average B factors (Å2)
  All protein atom125
  Ligand/solvent134
Ramachandran plot
  Outliers (%)0.0
  Allowed (%)6.0
  Favored (%)94.0
  Rotamer outliers (%)1.0
  No. of C-β deviations0
  All-atom clashscore2.0

*Values in parenthesis are for the highest resolution shell.

Rsym = Σ|I−(I)|/ ΣI, where I is the observed intensity of a reflection and (I) is the average intensity of all the symmetry related reflections.

‡For Rfree calculation, 10% of reflections were randomly excluded from the refinement.