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. 2022 Jul 26;62(2):429–436. doi: 10.1021/acs.biochem.2c00307

Table 1. Data Collection and Refinement Statistics of NagOx.

PDB entry 7ZZK
space group P212121
unit cell axes (Å) 87.96, 105.01, 120.67
unit cell angles (deg) 90, 90, 90
resolution (Å) 45.00 (1.50)
Rmerge (%) 7.1 (59.8)
Rpim (%) 5.3 (43.2)
CC1/2 0.998 (0.732)
completeness (%) 99.7 (100)
no. of unique reflections 178041 (8774)
multiplicity 2.5 (2.7)
overall I/σ(I) 12 (2.4)
no. of protein residues 972
no. of FAD molecules 2
no. of water molecules 1192
Wilson B-factor (Å2) 13.9
R/Rfree (%) 15.1/17.8
root-mean-square deviaiton for bond lengths (Å) 0.0127
root-mean-square deviaiton for bond angles (deg) 1.77
Ramachandran outliers (%) 0.21
MolProbity score 1.38 (100th percentile)