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. 2017 Nov 30;12(11):e0188127. doi: 10.1371/journal.pone.0188127

Table 1. Data collection and refinement statistics.

Space group P 21212
Unit cell dimensions a, b, c (Å) 84.2, 124.9, 165.1
Molecules/asymmetric unit 3 heterotrimers*
Wavelength (Å) 0.969
Resolution limits 29.6–3.18
Temperature 100 K
Number of total reflections 186 606
Number of unique reflections 29 071
Completeness (%) 96.9 (82.3)**
Redundancy 6.4 (5.4) **
I/sigma(I) 12.4 (1.7)**
Resolution range 29.6–3.18
Rmeas 14.7 (98.3)
CC1/2 99.7 (67.0)
Rwork/Rfree % 23.33 / 26.06
Number of atoms 11 754
Number of residues 1504
Number of water molecules 2
Root mean square deviation (RMSD) bonds (Å) 0.0091
Root mean square deviation (RMSD) angles (°) 1.10
Average B-factors (protein) (Å2) 91.13

*H-chain (OspE) from the trimer BE(H) was not modeled in the final structure because the electron density was too weak to trace

**in parentheses for the highest resolution shell.