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. 2016 Oct 6;6:34792. doi: 10.1038/srep34792

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.