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. 2011 Mar 26;67(Pt 4):446–449. doi: 10.1107/S174430911100515X

Table 1. Summary of crystallographic data for F. tularensis Pth.

Values in parentheses are for the highest shell.

Data collection
 Wavelength (Å) 1.54
 Resolution (Å) 50.0–2.25 (2.33–2.25)
 Space group P21212
 Unit-cell parameters a = 60.7, b = 93.0, c = 33.0
 Unique reflections 9412
 Total no. of reflections 62322
 Multiplicity 7
 Completeness (%) 100 (100)
 〈I/σ(I)〉 14.4 (4.0)
Rmerge (%) 14.0 (49.0)
Structure refinement
 No. of amino-acid chains 1
 No. of protein atoms  
  Main chain 758
  Side chain 706
  Total 1458
 No. of solvent molecules 51
 No. of other atoms 21
 Resolution range (Å) 33.0–2.25
R factor (%) 19.0
Rfree (%) 24.8
 Average protein-chain B factor (Å2)  
  Main chain 24.3
  Side chain 25.7
  Total 25.0
 Average solvent B factor (Å2) 24.2
 Average B factor for other atoms (Å2) 34.3
R.m.s.d. covalent bond lengths (Å) 0.013
R.m.s.d. bond angles (°) 1.291
Missing residues N-terminal hexahistidine tag, Met1