wwPDB validation report of PDB entry 2LTE

CYANA-3.0 USED TO ASSIGN NOES AND TO CACULATE STRUCTURES AFTER MANUAL NOE EDITING CALC 100, KEEP 20, STEPS=15000, CNS_SOLVE_1.3 VIA FMCGUI, FMCGUI USED TO CONVERT FROM CYANA TO CNS, AND TO SET UP REFINEMENT PARAMETERS FOR CNS.
simulated annealing, refinement in explicit water

Brunger, Adams, Clore, Gros, Nilges and Read

Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax

Solution NMR structure of the specialized acyl carrier protein PA3334 (apo) from Pseudomonas aeruginosa, Northeast Structural Genomics Consortium Target PaT415

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

assessment of nmr assigned chemical shifts

geometric validation of nmr ensemble structure

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

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