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. 2022 Aug 17;12:14010. doi: 10.1038/s41598-022-17384-9

Table 1.

Crystallography data collection and refinement statistics.

5BNT 6BAC
Resolution range (Å) 43.484–2.10 39.54–2.10
Space group P 41 21 2 P 31 2 1
Unit cell length (Å)

a = 125.68

b = 125.68

c = 199.44

a = 109.00

b = 109.00

c = 72.40 Å

Unique reflections 90,696 29,204
R-pim 0.133 0.077
Completeness (%) 96.9 99.5
Mean I/Sigma (I) 15.13 (3.59) 13.44 (2.98)
Total number of atoms 12,304 3038
RMS (bonds) (Å) 0.83 0.37
RMS (angles) (°) 1.10 0.54
Wilson B Factor 19.55 39.2
R-merge 0.125 0.07
R-work 0.182 0.180
R-free 0.220 0.228
Protein Atoms 11,169 2767
Solvent Atoms 928 222
Heterogen Atoms 157 41
Average B-factor (Å2 ) 24.0 51.0
Clashscore 2 2.10
Ramachandran favoured (%) 96 97
Ramachandran allowed (%) 4 3
Ramachandran outliers (%) 0 0
Rotamer Outliers (%) 0 1