wwPDB validation report of PDB entry 1QO4

A 3SIGMA FO-FC DENSITY APPEARS WITH A CENTER 2.5 ANGSTROM ABOVE THE HEME IRON. A WATER MOLECULE COULD NOT BE FITTED TO THIS DENSITY AS NO POSITIVE 2FO-FC ELECTRON DENSITY IS RETURNED. THE POSITIVE FO-FC DENSITY COULD ORIGINATE FROM A FRACTIONALLY OCCUPIED WATER MOLECULE. A FRACTIONALLY OCCUPIED WATER MOLECULE IS NOT INCLUDED IN THIS POSITION DUE TO THE RELATIVE LOW RESOLUTION OF THE DATA.

ARABIDOPSIS THALIANA PEROXIDASE A2 AT ROOM TEMPERATURE

The largest off-origin peak in the Patterson function is 5.82% 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)