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. 2022 Dec 13;17(12):e0278713. doi: 10.1371/journal.pone.0278713

Table 1. Data collection and refinement statistics.

LARGE1ΔCC
Wavelength 0.9677
Resolution range 45.64–2.61 (2.69–2.61)
Space group C 2
Unit cell 196.53 107.38 100.33 90 120.26 90
Total reflections 140110
Unique reflections 52821
Multiplicity 2.7
Completeness (%) 96.0 (93.0)
Mean I/sigma(I) 4.5 (0.4)
R-meas 18.1 (322.5)
CC1/2 98.3 (14.9)
Reflections used in refinement 52411
Reflections used for R-free 1194
R-work 0.215
R-free 0.270
Number of atoms
 macromolecules 9685
 ligands 45
 solvent 44
RMSD (bonds) 0.008
RMSD (angles) 1.22
Ramachandran favored (%) 97.03
Ramachandran allowed (%) 2.88
Ramachandran outliers (%) 0.00
Rotamer outliers (%) 3.15
Clashscore 11.97
Average B-factor
 macromolecules 83.99
 ligands 110.11
 solvent 63.87

Statistics for the highest-resolution shell are shown in parentheses.