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. 2017 Aug 2;114(33):E6774–E6783. doi: 10.1073/pnas.1703925114

Table S1.

X-ray crystallography data collection and refinement statistics for Cc ProXp-ala

Variable Value*
Space group P1211
Cell parameters
a, b, c, Å 62.04, 67.73, 62.93
 α, β, γ, ◦ 90.00, 118.62, 90.00
 Resolution (Å) 19.80–1.69 (1.78–1.69)
 Average redundancy 6.7 (6.4)
 Average I/σ(I) 16.3 (3.3)
Rp.i.m. 0.026 (0.228)
 Completeness, % 99.6 (99.0)
Refinement statistics
 No. of reflections 51,071 (7,401)
 R factor 0.1664
 Free R factor 0.1896
 Free R percentage 4.01
 Average B factor, Å2 25
 rmsd from ideality
  Bond lengths, Å 0.37
  Bond angles, ◦ 0.57
Ramachandran favored, % 99
Ramachandran allowed, % 1
Ramachandran outliers, % 0
*

Values in parentheses are for the highest-resolution shell.