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. Author manuscript; available in PMC: 2012 Dec 7.
Published in final edited form as: Structure. 2011 Dec 7;19(12):1796–1806. doi: 10.1016/j.str.2011.09.019

Table 2.

Crystallographic Statistics

Data collection
Space group P212121
Lattice constants (Å) a = 37.95 b= 68.89 c = 117.40
Resolution (Å) 44.68–1.8 (1.86–1.80)
Unique reflections 27696
Average redundancy 4.87 (4.86)
Completeness (%) 94.2 (94.4)
Rmerge (%) 5.8 (37.5)
I/σ(I) 11.0 (3.3)
Refinement statistics
Rwork (%) 20.2
Rfree (%) 23.3
Number of atoms
 Protein 2313
 LPA 32
 FeDHBA 12
 Water 134
R.M.S deviations
 Bond lengths (Å) 0.0136
 Bond angles (°) 1.4483
Ramachandran
 Favored (%) 93.0
 Allowed (%) 7.0
 Generously allowed (%) 0.0
 Disallowed (%) 0.0