Data Set |
Piperine |
Data collection |
|
Space group |
P 3221 |
Cell dimensions |
|
a,b,c(Å) |
90.413 90.413 122.699 |
α,β,γ(°) |
90, 90,120 |
Resolution (Å) |
48.29-1.98 |
I/σI |
13.1/2.4 |
Completeness (%) |
98.85 (98.72) |
Redundancy |
14.5 |
Rmerge |
0.313 |
Refinement |
|
Resolution (Å) |
48.29-1.98 |
No. reflections |
38437 |
Rwork/Rfree |
0.185/0.209 |
No. atoms |
|
Protein |
2766 |
Ligand/ion |
21 |
Water |
105 |
R.m.s. deviations |
|
Bond lengths (Å) |
0.0228 |
Bond angles (°) |
2.1337 |
Ramachandran statistics |
|
Favoured |
349 |
Allowed |
9 |
Outliers |
2 |