wwPDB validation report of PDB entry 2FQP

(1) HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. (2) THERE IS A METAL ION BOUND
IN EACH MONOMER. IT IS ASSIGNED AS ZN2+ BASED ON AN X-RAY EMISSION SPECTRUM AND AN X-RAY
FLUORESCENCE SCAN NEAR ZN ABSORPTION EDGE. (3) THERE IS AN ACETATE ION IN EACH MONOMER
BOUND NEAR ZN2+ ION. (4) THERE IS A PENTAETHYLENE GLYCOL 238 (N=5) MOLECULE BOUND IN THE STRUCTURE.
THE SOURCE OF PENTAETHYLENE GLYCOL IS UNCERTAIN. IT MAY COME FROM THE CONTAMINATION OF
PEG400 USED IN THE EXPERIMENT. IT IS ALSO POSSIBLE THAT WE ONLY OBSERVE THE ORDERED PART OF PEG400 AND THE REST OF PEG400
IS DISORDERED. (5) ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY

Crystal structure of a cupin domain (bp2299) from bordetella pertussis tohama i at 1.80 A resolution

The analyses of the Patterson function reveals a significant off-origin peak that is 56.94 % of the origin peak, indicating pseudo-translational symmetry. The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 2.5444e-05. The detected translational NCS is most likely also responsible for the elevated intensity ratio. See the relevant section of the logfile for more details.

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)