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. Author manuscript; available in PMC: 2015 Jan 2.
Published in final edited form as: Nature. 2014 Jan 19;506(7489):498–502. doi: 10.1038/nature12907

Table ED3.

Data collection and refinement statistics for BoGH5A:XXXG complex.

BoGH5A:XXXG (PDB ID 3zmr)
Data collection
Space group P21
Cell dimensions
a, b, c (Å) 46.8, 147.2, 84.1
 α, β, γ (°) 90.0, 92.8, 90.0
Resolution (Å) 72.99 - 1.43 (1.47 – 1.43)*
Rmerqe 0.058 (0.575)
II 12.2 (2.2)
Completeness (%) 99.5 (99.8)
Redundancy 2.1 (2.0)
Refinement
Resolution (Å) 72.99 - 1.43
No. reflections (Work/Free) 197432/10458
Rwork/Rfree 0.12/0.16
No. atoms
 Protein 7403
 Ligand/ion 226
 Water 1342
Avg B-factors
 Protein 19
 Ligand/ion 38
 Water 32
R.m.s. deviations
 Bond lengths (Å) 0.011
 Bond angles (°) 1.46
*

Values in parentheses are for highest-resolution shell.