wwPDB validation report of PDB entry 2KQM

HOMODIMER STRUCTURES ARE BASED ON A TOTAL OF 2477 NOE CONSTRAINTS (410 INTRA, 489 SEQUENTIAL, 340 MEDIUM, 1214 INTRAMONOMER LONG RANGE AND 24 INTERMONOMER NOE CONSTRAINTS) AND 151 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS PER MONOMER. CONSTRAINTS WERE ASSIGNED AND VALIDATED IN ONE MONOMER AND THEN DUPLICATED TO GENERATE A SYMMETRY RELATED CONSTRAINTS IN THE SECOND MONOMER.
AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT AND ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT

Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.

Solution structure of the KI O18/O8 Y87H immunoglobulin light chain variable domain

20191225.v01 (using entries in the PDB archive December 25th 2019)
geometric validation package for ligand chemistry in protein x-ray structures
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