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