wwPDB validation report of PDB entry 3REQ

2 MIRRORS, 2 SI(111) CRYSTAL MONOCHROMATOR

THIS STRUCTURE IS IN THE OPEN SUBSTRATE-FREE CONFORMATION. THE PROTEIN CONFORMATION IS VERY SIMILAR TO THAT IN THE MUCH BETTER DETERMINED NON-PRODUCTIVE COA COMPLEX (2REQ).

METHYLMALONYL-COA MUTASE, SUBSTRATE-FREE STATE (POOR QUALITY STRUCTURE)

THE CRYSTAL ASYMMETRIC UNIT CONSISTS OF TWO HETERODIMERIC MOLECULES, EACH WITH AN ACTIVE ALPHA CHAIN (CHAINS A AND C), AND AN INACTIVE BETA CHAIN (CHAINS B AND D). EACH ALPHA CHAIN CONTAINS A COBALAMIN, MODELED AS A FIVE-COORDINATE CO (II) SPECIES, AND A COENZYME A MOLECULE APPROXIMATELY IN THE SUBSTRATE BINDING SITE, BUT WITH THE PANTOTHEINE SIDE CHAIN DISORDERED.

The largest off-origin peak in the Patterson function is 2.65% 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)