wwPDB validation report of PDB entry 1THB

Coordinates and associated ncs operations (if present) transformed into standard crystal frame

HIS D 2 AND ITS NEIGHBORS ARE VERY POORLY ORDERED IN DENSITY MAPS AND THIS IS REFLECTED IN THE TEMPERATURE FACTORS. HOWEVER, THE CONFORMATION DEPICTED IS THAT WHICH BEST FITS THE AVAILABLE DENSITY AFTER REPEATED EXAMINATION INCLUDING THE USE OF OMIT MAPS.

IHP HAS NOT BEEN REFINED OR INCLUDED IN ANY MAP CALCULATION. IHP IS INCLUDED ONLY TO AID IN VISUALIZATION OF WEAK ELECTRON DENSITY AND FOR ILLUSTRATION OF THE BINDING SITE.

REFINEMENT OF A PARTIALLY OXYGENATED T STATE HAEMOGLOBIN AT 1.5 ANGSTROMS RESOLUTION

The largest off-origin peak in the Patterson function is 4.02% 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)