Skip to main content
. 2011 May 25;67(Pt 6):689–691. doi: 10.1107/S1744309111012437

Table 1. Data-collection and processing statistics.

Values in parentheses are for the highest resolution shell.

  Native Se peak
Beamline 6C1 (MXII), PAL 6C1 (MXII), PAL
Wavelength (Å) 1.23985 0.97950
Temperature (K) 100 100
Oscillation (°) 1.0 1.0
Total rotation range (°) 90 360
Space group P63 P63
Unit-cell parameters (Å) a = 56.74, b = 62.37, c = 103.61 a = 56.45, b = 62.25, c = 103.43
Resolution limits (Å) 50.00–1.67 (1.73–1.67) 50.00–2.06 (2.13–2.06)
Total reflections 303666 1264119
Unique reflections 73189 157583
Completeness (%) 97.8 (88.4) 97.8 (84.5)
Rmerge (%) 7.3 (34.4) 7.6 (42.3)
I/σ(I)〉 35.78 (3.09) 32.55 (7.74)
Multiplicity 4.1 (2.6) 8.0 (5.2)

R merge = Inline graphic Inline graphic, where Ii(hkl) and 〈I(hkl)〉 are the observed individual and mean intensities of a reflection, respectively. Inline graphic is the sum over the individual measurements of a reflection and Inline graphic is the sum over all reflections.