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. 2018 Mar 20;9:1159. doi: 10.1038/s41467-018-03547-8

Table 1.

Data collection and refinement statistics

EtHgPO4 UppP Native UppP
Data collection
Space group C222 C222
Cell dimensions
 a, b, c (Å) 111.19, 146.84, 40.20 110.05, 146.19, 40.23
 α, β, γ (°) 90, 90, 90 90, 90, 90
Wavelength 1.0057 0.9795
Resolution (Å) 40.20–3.00 (3.11–3.00) 44.56–2.00 (2.07–2.00)
Rsym or Rmerge 0.1663 (0.942) 0.1083 (1.434)
II 14.38 (2.91) 8.11 (1.25)
Completeness (%) 99.70 (99.28) 95.58 (69.75)
Redundancy 12.1 (11.9) 5.7 (4.0)
Refinement
Resolution (Å) 44.56–2.00 (2.07–2.00)
No. reflections 21,713
Rwork/Rfree 0.22/0.25
No. atoms
 Protein 2080
 Ligand/ion 145
 Water 44
B-factors
 Protein 44.78
 Ligand/ion 67.20
 Water 41.54
R.m.s deviations
 Bond lengths (Å) 0.006
 Bond angles (°) 1.02

Values in parentheses are for highest-resolution shell