Table 2. Data collection and refinement statistics.
PPARγ/AL29-26 | PPARα/AL29-26 | |
---|---|---|
Data collection | ||
Space group | C2 | P41212 |
Cell dimension a, b, c (Å) | 93.40, 60.79, 119.00 | 63.65, 63.65, 126.00 |
α, β, γ (°) | 90, 103.4,90 | 90, 90, 90 |
X-ray source | synchrotron (ESRF) | synchrotron (ESRF) |
N. of molecules in the A.U. | 2 | 1 |
Wavelenght (Å) | 0.873 | 0.873 |
Resolution (Å) | 50–2.00 | 50–1.83 |
Unique reflections | 23,665 | 43,099 |
Completeness (%) | 98 (97) | 100 (100) |
Rmerge | 5.9 (64.6) | 7.1 (51.8) |
I/σ(I) | 10.1 (1.2 | 22.7 (5.0) |
Refinement | ||
Rcryst | 22.5 | 21.1 |
Rfree | 26.8 | 26.2 |
RMSD bond | 0.009 | 0.7 |
RMSD angle | 1.27 | 1.09 |
No. of residues | ||
Molecule A | 251 | 262 |
Molecule B | 251 | |
Ligands | 2 | 1 |
Waters | 187 | 220 |
Wilson B (Å2) | 45.2 | 30.0 |
PDB entry | 5HZC | 5HYK |
Values in parentheses are for the outer resolution shell.