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. Author manuscript; available in PMC: 2014 Sep 10.

Published in final edited form as: Biochemistry. 2013 Aug 26;52(36):10.1021/bi400613h. doi: 10.1021/bi400613h

Table 1.

Crystallographic data and refinement statistics.

Data collection statistics	SOD-cys
Beam line	APS, GM/CA-CAT, ID-B
Wavelength	0.95 Å
Space group	P6₃
Cell constants	a = 113.1 Å b = 113.1 Å c = 70.6 Å α = β = 90° γ = 120°
Total reflections	16978
Unique reflections	15290
Resolution limit (Å)	2.48 (2.48-2.57)^*
Completeness (%)	94.8 (100.0)
Redundancy	10.9 (10.7)
I/σI	25.6 (4.8)
R_merge (%)	0.083 (0.56)
Refinement statistics	SOD-cys
Resolution range (Å)	2.48-27.15
R_free test set size	1688
R_work (%)	27.6
R_free (%)	33.5
No. Atoms
Total	2221
Protein	2193
Water	24
Copper	2
Zinc	2
B-factors
Overall	52.13
R.m.s. deviations
Bond lengths (Å)	0.009
Bond angles (°)	1.3

^*

parenthesis are for statistics in the highest resolution shell.