Table 1.

Data collection and refinement statistics

Data collectionApoOleic acid complex
PDB ID code3WEA3WEB
Space groupP21P21212
Cell parameters, Åa = 40.4, b = 35.7, c = 104.9a = 34.8, b = 103.2, c = 39.3
Cell parameters, °β = 92.3
X-ray sourcePF-AR BL-NW12PF BL-5
Wavelength, Å1.000001.00000
Resolution, Å100–1.8 (1.86–1.80)100–1.7 (1.76–1.70)
No. of reflections167,212499,517
No. of unique reflections28,146 (2,747)66,810 (6,533)
Completeness, %99.0 (98.1)99.8 (97.9)
Multiplicity5.9 (4.8)7.5 (6.6)
R merge0.101 (0.495)0.106 (0.443)
Average I7.1 (3.0)16.3 (8.2)
Refinement
 Resolution, Å22.4–1.8 (1.85–1.80)31.3–1.7 (1.74–1.70)
R factor0.258 (0.352)0.215 (0.259)
R free0.317 (0.421)0.267 (0.256)
 No. of waters121140
 Average B value, Å238.422.3
 rmsd from ideals
  Lengths, Å0.0090.006
  Angles, °1.341.13
 Ramachandran plot, favored/allowed/disallowed, %97.7/2.3/0.099.2/0.8/0.0
  • Values in parentheses refer to the highest resolution shell.