Hello Betul,
The data and structure should have the same space group. I'm not sure if the PDB would allow deposition if the two didn't match.
I would spend a little time to figure out which space group your data are in- clearly there seems to be some ambiguity and then re-refine the model in the appropriate space group.
Best of luck, Tom
________________________________
From: [email protected]
Sent: Thursday, July 2, 2026 2:29 AM
To: [email protected]
Subject: [phenixbb] PDB deposition question: processed data in P6₃22, refined model in P6₃
[You don't often get email from [email protected]. Learn why this is important at https://aka.ms/LearnAboutSenderIdentification ]
Hello everyone,
I have a question regarding PDB deposition.
The processed diffraction data are in P6₃22, while the refined structure is in P6₃. During PDB deposition, the validation server reports a completeness of only ~51% which appears to result from the difference in symmetry between the processed data and the refined model.
Would it be acceptable to deposit the structure in this situation, or should the diffraction data be reprocessed in P6₃ and refined again before deposition?
Thank you very much for your advice!
Best,
Betul
_______________________________________________
phenixbb mailing list -- [email protected]
To unsubscribe send an email to [email protected]
Unsubscribe: phenixbb-leave@%(host_name)s
This email and any files transmitted with it may contain confidential information. If you believe you have received this email or any of its contents in error, please notify me immediately by return email and destroy this email. Do not use, disseminate, forward, print or copy any contents of an email received in error.
