Table 1. Crystallographic data-collection statistics for Fra a 1E and Fra a 3–catechin.
Values in parentheses are for the highest resolution shell.
| Fra a 1E | Fra a 3–catechin | |
|---|---|---|
| X-ray source | ID14-4 | ID14-1 |
| Space group | P212121 | C2221 |
| Unit-cell parameters (Å) | a = 70.02, b = 74.42, c = 84.04 | a = 137.91, b = 206.61, c = 174.70 |
| Resolution | 36.03–2.20 (2.32–2.20) | 30–3.00 (3.16–3.00) |
| No. of observations (overall/unique) | 165127/24107 | 371478/49904 |
| Average multiplicity | 7.2 (7.3) | 7.4 (7.5) |
| R p.i.m. † | 0.034 (0.183) | 0.03 (0.23) |
| Completeness (%) | 99.9 (100) | 99.5 (100) |
| 〈I/σ(I)〉 | 14.0 (4.2) | 21.7 (3.6) |
†
R
p.i.m. = 
, where Ii(hkl) is the intensity of observation i of reflection hkl and N is the redundancy of reflection hkl (Einspahr & Weiss, 2012 ▶).