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. Author manuscript; available in PMC: 2016 Sep 1.
Published in final edited form as: Biol Chem. 2015 Sep 1;396(0):1127–1134. doi: 10.1515/hsz-2015-0131

Table 1.

Data processing and refinement statistics

Data Processing Statistics MetQ
Space group C2221
Unit cell dimensions (a, b, c) (Å) 59.7, 87.4, 112.9
Wavelength (Å) 1.00
Resolution (Å)a 24.5-1.60 (1.64 – 1.60)
Unique reflections 38,555
Redundancy 4.1
Completeness (%) 98.4 (96.1)
I/σ 11.5(1.11)
Rmerge 0.07 (0.952)
Refinement Statistics PDB ID 4YAH
Resolution (Å)a 24.5 – 1.60 (1.64 – 1.60)
R-work 0.154 (0.360)
R-free 0.183 (0.409)
Average B factor (Å) 27.7
RMSD bond length (Å) 0.008
RMSD bond angle (°) 1.21
Ramachandran plot (favored, allowed, outliers, %) 98, 2, 0
a

Numbers in parentheses represent data in the highest resolution shell