wwPDB validation report of PDB entry 2ML9

Crystal structure of Yersinia pestis YscUC

Crystal structure of Yersinia enterocolitica YscUC(N263A)

Crystal structure of Escherichia coli EscUC

Crystal structure of Escherichia coli EscUC(T264A)

Crystal structure of Salmonella typhimurium SpaSC

structures with least restraint violations, followed by selection by lowest energy

SIMULATED ANNEALING FROM EXTENDED STRUCTURE, MINIMIZATION IN TORSION ANGLE/CARTESIAN SPACE
simulated annealing, torsion angle dynamics

Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax

Schwieters, Kuszewski, Tjandra and Clore

Solution structure of YSCUCN in a micellar complex with SDS

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

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

assessment of nmr assigned chemical shifts

geometric validation of nmr ensemble structure

domain identification of nmr ensemble structure

classification of nmr ensemble structure

nmr chemical shift validation and reference correction

random coil index prediction from nmr chemical shifts