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. 2020 Jan 1;7(Pt 1):90–99. doi: 10.1107/S2052252519015409

Table 1. Data-collection and refinement statistics for hMICAL3FMOCH .

Values in parentheses are for the highest resolution shell.

Data collection
 Wavelength (Å) 0.9794
 Space group P21
a, b, c (Å) 65.211, 93.466, 71.568
 α, β, γ (°) 90, 92.366, 90
 Resolution range (Å) 47.2–2.30 (2.38–2.30)
 Completeness (%) 99.7 (99.8)
R sym (%) 0.143 (0.48)
I/σ(I) 16.89 (2.72)
 Redundancy 4.85 (4.8)
 Total reflections 38165
Refinement statistics
 Resolution range (Å) 47.2–2.30 (2.38–2.30)
 Unique reflections 3817
R work (%) 17.2 (19.6)
R free (%) 21.5 (24.6)
 R.m.s. deviations
  Bond lengths (Å) 0.009
  Bond angles (°) 0.097
 Ramachandran favored (%) 97.9
 Ramachandran outliers (%) 0

R sym = Inline graphic Inline graphic, where I i(hkl) is the observed intensity of reflection i, 〈I(hkl)〉 is the average intensity and i counts through all symmetry-related reflections.