Extended Data Table 1. Data collection and refinement statistics.
| Native GP | GP-toremifene | GP-ibuprofen | |
|---|---|---|---|
| Data collection | |||
| Space group | R32 | ||
| Cell dimensions | |||
| a, b, c (Å) | 114.3, 114.3, 307.4 | 113.5, 113.5, 306.9 | 113.8, 113.8, 306.2 |
| α, β γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 94.2–2.23 (2.29–2.23)* | 51.2–2.69 (2.76–2.69) | 82.8–2.68 (2.75–2.68) |
| Rmerge | 0.204(---) | 0.079 (---) | 0.143 (---) |
| I / σI | 17.4(1.3) | 20.0 (1.9) | 14.7(1.5) |
| Completeness (%) | 100(100) | 99.9 (100) | 99.9(100) |
| Redundancy | 57.8(15.4) | 9.8 (8.6) | 9.8(8.3) |
| Refinement | |||
| Resolution (Å) | 94.2–2.23 | 51.2–2.68 | 82.8–2.68 |
| No. reflections | 36035/1865 | 20449/1090 | 20734/1107 |
| Rwork / Rfree | 0.226/0.241 | 0.201/0.245 | 0.199/0.235 |
| No. atoms | |||
| Protein | 3129 | 3034 | 3025 |
| Ligand/glycan/ion | 143 | 151 | 140 |
| Water | 119 | 53 | 73 |
| B-factors | |||
| Protein | 39 | 62 | 55 |
| Ligand/glycan/ion | 99 | 115 | 96 |
| Water | 54 | 70 | 55 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.007 | 0.007 | 0.007 |
| Bond angles (°) | 1.3 | 1.3 | 1.3 |
*
Values in parentheses are for highest-resolution shell.