[wwPDB] Remediation of crystal structures deposited in non-standard coordinate frames
A total of 268 structure entries deposited to PDB in a non-standard coordinate frame or space group setting have been re-versioned and re-released between December 2022 and September 2023. The updates have been made to enable improved model visualization and validation against deposited experimental data using modern graphics and refinement software.
Each re-versioned entry has atom x,y,z coordinates transformed into the standard crystallographic frame. Non-crystal symmetry matrices, if present, have also been transformed to operate on the updated coordinates.
Coordinate transformations were extracted either from REMARK or SCALE records, or from transformations published in the primary citation.
All transformed structure coordinates have been carefully checked for integrity of crystal packing and where available, validation against the deposited structure factor data.
Original deposited coordinates/matrices remain accessible/downloadable as the previous major version in PDB's versioned archive.
Coordinate frame-transformed myoglobin 1MBO coordinates with 2Fo-Fc map visualized using COOT.
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