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. 2023 Mar 1;14:1137279. doi: 10.3389/fmicb.2023.1137279

Table 1.

Data collection and refinement statistics.

Items MazG (1–185)
PDB code 7YH5
Data collection
Space group P4212
Cell dimensions a = 109.31 Å, b = 109.31 Å, c = 242.91 Å
α = 90°, β = 90°, γ = 90°
Resolution (Å)a 35.86–2.70 (2.796–2.70)
R merge (%)b 1.654 (35.19)
/ 17.90 (1.88)
CC1/2 1 (0.729)
Wilson B-factor 87.7
Completeness (%) 99.85 (99.98)
Refinement
No. reflections 41,349 (4072)
Rwork (%)c 25.80 (32.82)
Rfree (%)d 29.62 (38.06)
Macromolecules 7,077
Protein 984
Ligand 6
Water 35
RMSD
Bond lengths (Å) 0.010
Bond angles (°) 1.01
Ramachandran analysis (%)
Favored 95.93
Allowed 4.07

aValues in parentheses are for the highest resolution shell. bRmerge = Σ|Ii − <I > |/Σ|I|, where Ii is the intensity of an individual reflection and is the average intensity of that reflection. cRwork = Σ||Fo| − |Fc||/Σ|Fo|, where Fo and Fc are the observed and calculated structure factors for reflections, respectively. dRfree was calculated as Rwork using the 5% of reflections that were selected randomly and omitted from refinement.