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. 2011 Aug 9;67(Pt 9):822–825. doi: 10.1107/S090744491102645X

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Data statistics
 Space group P31
 Unit-cell parameters (Å, °) a = b = 33.00, c = 52.03, α = β = 90.0, γ = 120.0
 Wavelength (Å) 0.8
 No. of images 280
 Resolution (Å) 15.73–0.98 (1.03–0.98)
 Completeness (%) 98.6 (100.0)
 Total reflections 253608 (35877)
 Unique reflections 36372 (5431)
 Multiplicity 7.0 (6.6)
Rmerge (%) 10.7 (52.4)
 Mean I/σ(I) 11.3 (3.1)
Refinement statistics
 Resolution range (Å) 14.29–0.98
R factor 0.167
Rfree 0.171
 No. of atoms (protein/water) 504/91
 Mean B factor (Å2) 13.56
 R.m.s. deviations from ideal  
  Bond lengths (Å) 0.019
  Bond angles (°) 2.415
 Ramachandran plot (%)  
  Most favoured 94.6
  Additionally allowed 5.4
  Disallowed 0.0

R merge = Inline graphic Inline graphic, where Ii(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the mean value of Ii(hkl) for all i measurements.