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. 2015 Aug 17;112(35):11018–11023. doi: 10.1073/pnas.1502026112

Table S1.

Data collection and refinement statistics

Data collection and refinement SSL3 SSL3–TLR2
Data collection
 Wavelength (Å) 0.9999 1.0000
 Space group P212121 P61
 Cell dimensions
  a, b, c (Å) 58.00, 79.22, 96.38 104.20, 104.20, 153.63
  α, β, γ (°) 90, 90, 90 90, 90, 120
 Resolution range (Å)* 61.2–1.94 (1.99–1.94) 52.1–3.2 (3.31–3.2)
 Total no. reflections 223,907 (16,027) 36,297 (7,265)
 No. unique reflections 33,556 (2,419) 14,687 (3,088)
 Rmerge 0.093 (0.73) 0.225 (1.08)
 I/σI 11.1 (2.7) 5.6 (2.0)
 Redundancy 6.7 (6.6) 2.5 (2.4)
 Completeness (%) 99.8 (99.9) 94.1 (96.7)
 CC(1/2) 0.99 (0.63) 0.92 (0.41)
Refinement
 Rwork/Rfree 0.177/0.224 0.231/0.271
 No. atoms 3,521 5,976
  Protein 3,266 5,890
  Water/other ligands 214/9 0/86
 Average B/Wilson B (Å2) 37.5/32.2 57.4/44.6
 Rmsd
  Bond lengths (Å) 0.0079 0.0070
  Bond angles (°) 1.21 1.23
 Ramachandran plot
  Favored (%) 97.0 92.8
  Allowed (%) 3.0 6.7
  Outliers (%) 0 0.5
*

Numbers between brackets refer to the outer resolution shell.