Table 1.
Data collection and refinement statistics.
| Complex a | RXRα-PA-GRIP-1 | RXRβ-PA-GRIP-1 | RXRγ-PA-GRIP-1 |
|---|---|---|---|
| PDB codes | 7A77 | 7A78 | 7A79 |
| Beamline | DESY P13 | SLS X06SA | SLS X06SA |
| Data Collection | |||
| Resolution b (Å) | 43.10–1.50 (1.55–1.50) | 45.0–1.72 (1.78–1.72) | 46.01–2.05 (2.12–2.05) |
| Space group | P 43212 | P 43212 | P 212121 |
| Cell dimensions | a=b=66.2, c=110.6 Å | a=b=63.6, c=110.1 Å | a=63.3, b=67.1, c=110.7 Å |
| α=β=γ=90.0 | α=β=γ=90.0 | α=β=γ=90.0° | |
| Number of unique reflections | 40,177 (3855) | 24,821 (2373) | 30,235 (2910) |
| Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | 99.9 (100.0) |
| I/σI | 20.0 (4.0) | 15.3 (2.3) | 8.2 (2.0) |
| Rmerge (%) | 0.073 (0.703) | 0.059 (0.875) | 0.148 (0.782) |
| CC (1/2) | 0.999 (0.876) | 0.999 (0.769) | 0.994 (0.754) |
| Redundancy | 15.6 (14.2) | 8.0 (8.3) | 8.5 (7.9) |
| Refinement | |||
| Number atoms in refinement (P/G/L/O) c | 1841/ 99/ 18/ 237 | 1688/ 111/ 18/ 160 | 3416/ 210/ 36/ 182 |
| B factor (P/G/L/O) c (Å2) | 22/ 29/ 29/ 35 | 37/ 40/ 39/ 44 | 38/ 48/ 47/ 43 |
| Rfact (%) | 15.2 | 17.7 | 19.5 |
| Rfree (%) | 18.0 | 20.4 | 24.8 |
| rms deviation bond c (Å) | 0.015 | 0.013 | 0.014 |
| rms deviation angle c (°) | 1.6 | 1.4 | 1.4 |
| Molprobity Ramachandran | |||
| Favor (%) | 97.4 | 99.0 | 98.0 |
| Outlier (%) | 0 | 0 | 0 |
| Crystallization condition d | 17% PEG 3350, 0.2 M ammonium acetate, 0.1 M tris, pH 8.0 | 16% low-molecular-weight PEG smears, 0.1 M HEPES, pH 7.5, 5% ethylene glycol, 0.1 M KCl | 17% PEG 3350, 0.1 M potassium citrate |
a GRIP-1 peptide sequence is KHKILHRLLQDSSY. b Value in brackets indicates high-resolution shell statistics. c P/G/L/O indicates protein, GRIP-1 peptide, palmitic acid ligand and others; rms indicates root-mean-squre. d Low-molecular-weight PEG smears contain PEG 400, PEG 550 MME, PEG 600 and PEG 1000 [52].