Skip to main content
. 2020 Oct 29;76(Pt 11):536–543. doi: 10.1107/S2053230X20013874

Table 2. Data-collection and processing statistics.

Values in parentheses are for the outer resolution shell.

  Apo SmChiP SmChiP–chitohexaose
Resolution cutoff (Å) 1.85 2.70
Beamline I04-1, DLS TPS 05A, NSRRC
Wavelength (Å) 0.97886 0.99984
Resolution range (Å) 94.76–1.85 (1.89–1.85) 71.15–2.70 (2.83–2.70)
Space group P42212 P41212
a, b, c (Å) 82.9, 82.97, 189.53 73.24, 73.24, 213.46
α, β, γ (°) 90, 90, 90 90, 90, 90
Total No. of reflections 800417 100353
No. of unique reflections 57273 15892
Completeness (%) 100 (94.5) 99.0 (94.9)
Multiplicity 11.7 (9.8) 6.3 (6.5)
Mean I/σ(I) 24.8 (2.5) 8.7 (3.0)
R merge 0.101 (0.903) 0.164 (0.922)
CC1/2 0.993 (0.647) 0.966 (0.569)

Mean I/σ(I) = 〈〈I h〉/σ′(〈I h〉)〉.

R merge = Inline graphic Inline graphic, where Ii(hkl) is the intensity of the ith measurement of an equivalent reflection with indices hkl.