Table 1. Statistics of ERα LBD–peptide–ligand structure determination.
Values in parentheses are for the highest resolution shell.
| Data-collection details (RU68593)† | |
| Wavelength (Å) | 0.979 |
| Unit-cell parameters (Å, °) | a = 56.7, b = 81.8, c = 58.3, β = 111.2 |
| Space group | P21 |
| Processing statistics | |
| Resolution range (Å) | 30.0–2.25 |
| Unique reflections | 22268 |
| Redundancy | 3.1 (2.6) |
| Completeness (%) | 94.9 (61.0) |
| 〈I/σ(I)〉 | 16.6 (10.0) |
| Rmerge‡ (%) | 6.5 (10.8) |
The data set for RU100132 was isomorphous and of similar quality.
R
merge =
, where I
i(hkl) is the ith observed intensity of a measured reflection with Miller indices hkl and
is the average intensity for this unique reflection.