wwPDB validation report of PDB entry 1ELJ

MALTOTRIOSE IS A TRISACCHARIDE, COMPOSED OF THREE GLUCOPYRANOSIDE UNITS LINKED BY ALPHA 1->4 BONDS. IN OUR STRUCTURE WE OBSERVE THAT THE REDUCING END OF THE MOLECULE IS DISORDERED BETWEEN TWO ANOMERIC FORMS - ALPHA AND BETA. THIS IS WHY GLC 1001 HAS TWO ANOMERIC OXYGENS, EACH HAVING PARTIAL OCCUPANCY.

Used conjugated gradient least squares proce

THE CRYSTAL STRUCTURE OF LIGANDED MALTODEXTRIN-BINDING PROTEIN FROM PYROCOCCUS FURIOSUS

The largest off-origin peak in the Patterson function is 5.06% of the height of the origin peak. No significant pseudotranslation is detected.

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

structure factor analysis and validation

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