wwPDB validation report of PDB entry 3I43

E. coli wild type disulfide form at 1.8 A resolution

E. coli C61S mutant at 1.75 A resolution

E. COLI TPX C82S, C95S MUTANT AT 2.21 A RESOLUTION

E. coli wild type disulfide form at 2.2 A resolution

This is not a stand alone structure, but is derived from the higher resolution structure 3HVS by a simple rigid body refinement combined with manual adjustment and geometry optimization of only the catalytic residues Cys61 and Cys95. This data set is at much lower resolution and was only used to confirm the presence of an intact disulfide. The conformation of Cys61 and Cys95 from this structure has been added as an alternate conformation with zero occupancy to the higher resolution structure 3HVS and we recommend use of that structure rather than this one.
Difference fourier based on isomorphous starting model

Escherichia coli Thiol peroxidase (Tpx) wild type disulfide form

The largest off-origin peak in the Patterson function is 7.01% 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)