Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Data set | Remote | Peak | Inflection |
|---|---|---|---|
| Space group | P43212 | ||
| Unit-cell parameters (Å) | a = b = 64.97, c = 41.27 | ||
| Wavelength (Å) | 0.9000 | 0.9795 | 0.9798 |
| Resolution (Å) | 30–1.68 (1.78–1.68) | 30–1.73 (1.82–1.73) | 30–1.73 (1.82–1.73) |
| No. of unique reflections | 9873 (1550) | 8754 (1050) | 8697 (1038) |
| Rmerge† | 0.077 (0.602) | 0.065 (0.515) | 0.068 (0.425) |
| Rp.i.m.‡ | 0.022 (0.300) | 0.020 (0.293) | 0.028 (0.395) |
| Rr.i.m.‡ | 0.090 (0.589) | 0.070 (0.646) | 0.076 (0.455) |
| I/σ(I) | 11.0 (1.5) | 16.0 (1.8) | 11.5 (1.6) |
| Completeness (%) | 92.6 (90.1) | 90.5 (78.4) | 89.9 (77.5) |
| Redundancy | 11.2 (5.9) | 10.3 (4.2) | 5.2 (2.1) |
†
R
merge = 
, where 
represents the sum over all reflections, 
represents the sum over all symmetry-related and equivalent reflections and 〈I(hkl)〉 denotes the mean value of I(hkl).
‡
R p.i.m. and R r.i.m. are as defined in Weiss (2001 ▶).