wwPDB validation report of PDB entry 1DUI

CATALYTIC NUCLEOPHILE SER 221 IS COVALENTLY LINKED TO THE INHIBITOR DFP. ONLY ONE OF THE TWO DFP ISOPROPYL GROUPS IS VISIBLE AND INCLUDED IN THE MODEL. SEE HETATM RECORDS DFP, RESIDUE NUMBER 288.

Subtilisin BPN' from Bacillus amyloliquefaciens, crystal growth mutant

The largest off-origin peak in the Patterson function is 6.17% of the height of the origin peak. No significant pseudotranslation is detected.

structure factor analysis and validation

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

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