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. 2013 Aug 19;69(Pt 9):1015–1019. doi: 10.1107/S1744309113021386

Table 1. Room-temperature neutron data-collection statistics.

Values in parentheses are for the highest resolution shell. The X-ray data shown are from a hydrogenous crystal.

  BIODIFF neutron data In-house X-ray data
No. of images 201 180
Wavelength (Å) 2.66 1.54
Space group P21212 P21212
Unit-cell parameters (Å, °) a = 83.1, b = 108.9, c = 75.7, α = β = γ = 90.0 a = 82.7, b = 108.9, c = 75.6, α = β = γ = 90.0
Unit-cell volume (Å3) 685570 682339
Resolution (Å) 44.0–2.30 (2.37–2.30) 36.3–1.78 (1.81–1.78)
No. of reflections (total/unique) 56137/28420 (1796) 463685/66613 (3697)
Multiplicity 2.0 (1.4) 7.0 (6.6)
Mean I/σ(I) 4.6 (1.1) 14.5 (3.4)
R merge (%) 0.14 (0.520) 0.070 (0.554)
R p.i.m. (%) 0.11 (0.478) 0.029 (0.232)
Completeness (%) 91.4 (70.6) 99.9 (98.3)

R merge = Inline graphic Inline graphic.

R p.i.m. = Inline graphicInline graphic Inline graphic.