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. 2016 Feb 19;72(Pt 3):214–219. doi: 10.1107/S2053230X16002272

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source Beamline X06DA, SLS
Wavelength (Å) 1.0
Temperature (K) 100
Detector Pilatus 2M-F
Space group P21
a, b, c (Å) 43.58, 53.82, 120.25
α, β, γ (°) 90, 99.17, 90
Resolution range (Å) 49.02–1.59 (1.65–1.59)
Total No. of reflections 241352 (21049)
No. of unique reflections 72420 (6893)
Completeness (%) 99.2 (94.8)
Multiplicity 3.3 (3.1)
I/σ(I)〉 10.66 (1.9)
R r.i.m. 0.108 (0.753)
Overall B factor from Wilson plot (Å2) 12.28§

The mean I/σ(I) in the outer shell is <2.0 when the resolution reaches 1.59 Å.

Estimated R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.

§

No anomalies were observed in the Wilson plot.