wwPDB validation report of PDB entry 2Q3R

12-oxophytodienoate- 10,11-reductase 1, OPDA-reductase 1, AtOPR1, FS-AT-I

Original refinement based on same data and R-free set.

This PDB entry is a re-refinement using an ensemble model of the previously deposited single-conformer structure 1vji and the first data set in the deposited structure factor file for 1vji along with the R-free set defined therein. The coordinates were generated by an automated protocol from an initial model consisting of 16 identical copies of the protein and non-water hetero-atoms assigned fractional occupancies adding up to one, and a single copy of the solvent molecules. Refinement was carried out with all the conformers present simultaneously and with the potential energy terms corresponding to interactions between the different conformers excluded. The helix and sheet records were calculated using coordinates from the first conformer only. The structure visualization program PYMOL is well-suited for directly viewing the ensemble model presented in this PDB file.

12-oxophytodienoate reductase 1 (E.C.1.3.1.42)
Ensemble refinement of the protein crystal structure of At1g76680 from Arabidopsis thaliana

The largest off-origin peak in the Patterson function is 6.60% of the height of the origin peak. No significant pseudotranslation is detected.

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)