wwPDB validation report of PDB entry 4CGJ

5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid

INTERROGATING HIV INTEGRASE FOR COMPOUNDS THAT BIND- A SAMPL CHALLENGE

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY 4CGI AND THIS STRUCTURE HAVE THE SAME LIGAND, ALTHOUGH THEY WERE MADE AS DIFFERENT SALTS AND THE DENSITY FOR THE LIGAND IN THIS STRUCTURE IS BETTER.

The largest off-origin peak in the Patterson function is 7.51% of the height of the origin peak. No significant pseudotranslation is detected.

20191225.v01 (using entries in the PDB archive December 25th 2019)

structure factor analysis and validation

geometric validation package for ligand chemistry in protein x-ray structures