[ccp4bb] Normalization of B-factors

2018-08-09 Thread Santhosh Gatreddy
Hi all,

I have to compare the B-factors of three of my ligand bound structures of the 
same protein which were diffracted to 1.85, 1.98 and 2.01 A resolution.

Is it necessary to normalize the B-factors of these structures (dimer in ASU) 
before comparing them to understand the ligand induced stability.


Thanks for Your suggestions,

Santhosh


 








To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1


[ccp4bb] Discrepancy in data completeness

2018-07-23 Thread Santhosh Gatreddy
Hi all,

I have a doubt regarding the data completeness with PDB validation report.

According to AIMLESS log file the data completeness is 99.8 %.

But when I have checked the validation report the data completeness is 99.4%.

Why is this discrepancy occurring between the aimless log and PDB validation 
report and how to correct it?

Please give your suggestions.


Regards
Santhosh



To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1