Table 2.
Data collection and model refinement statistics.
| WT 20S + Fellutamide B | |
|---|---|
| Crystal form | |
| Space group | P21 |
| Unit cell dimensions | |
| a , b, c, (Å) | 170 × 118 × 194 |
| (°) | 112.6 |
| Data collection | |
| Wavelength (Å) | 1.000 |
| Temperature (K) | 100 |
| Resolution (Å) | 50 - 2.5 (2.59-2.5) a |
| Unique reflections | 241959 |
| Redundancy | 4.7 |
| Rsym | 0.107 (0.485) |
| Completeness (%) | 96.6 (71.8) |
| I/σ(I) | 9.7 (1.8) |
| Model statistics | |
| Model composition: | |
| nonhydrogen atoms | 48845 |
| Protein residues | 6118 |
| Ligands | 14 |
| Refinement: | |
| Resolution (Å) | 50 - 2.5 |
| Rcryst / Rfree | 0.200 / 0.240 |
| Test reflections (%) | 5 |
| Average B-factor | 45.0 |
| R.m.s deviations: | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.207 |
| Ramachandran plot | |
| Most favored (%) | 95.5 |
| Allowed (%) | 4.1 |
| Disallowed (%) | 0.4 |
a
Values in parentheses refer to the highest resolution shell.