Table 1.
Crystallographic Data Tablea
| PPARγ–SR2067 | |
|---|---|
| wavelength (Å) | 0.9795 |
| resolution range (Å) | 40–2.2 |
| space group | C2 |
| unit cell a, b, c (Å) | 92.8, 62.6, 118.6 |
| unique angle β (deg) | 101.9 |
| unique reflections | 30423 (2796) |
| multiplicity | 3.6 (3.6) |
| completeness (%) | 92.3 (95.5) |
| mean I/sigma(I) | 9.9 (1.5) |
| Wilson B-factor | 47.5 |
| Rmerge | 6.8 (98.0) |
| Rpim | 4.3 (63.1) |
| Rfactor | 18.5 |
| Rfree | 24.0 |
| protein subunits in ASU | 2 |
| total number of atoms | 4292 |
| macromolecule atoms | 4075 |
| ligands atoms | 39 |
| water atoms | 178 |
| protein residues | 505 |
| RMS bonds (Å) | 0.008 |
| RMS angles (deg) | 1.127 |
| Ramachandran favored (%)b | 97.8 |
| average B-factor total | |
| macromolecule B-factor | 67.5 |
| solvent B-factor | 61.3 |
a
Values in parentheses correspond to the last shell.
b
Ramachandran values calculated using MolProbity.