Hi Venkatareddy Dadireddy, do the unit cell parameters of your MTZ file and PDB file agree exactly ?
Take for example a cell of (100,110,120,90,90,90) in the header of the MTZ file, and (97,110,120,90,90,90) in the CRYST1 line of the PDB file. In this example, the (50,0,0) reflection would be at 2.0A resolution if using the cell from the MTZ file, but it would be at 1.94A resolution if calculating the resolution based on the cell from the PDB file. So perhaps REFMAC5 takes the cell from the PDB file, and phenix.refine takes the cell from the MTZ? I didn't check but it may be worth finding out. HTH, Kay On Tue, 2 Apr 2024 21:16:57 +0530, venkatareddy dadireddy <venkatda...@gmail.com> wrote: >Hi, > >The resolution range in my MTZ file is 70.88 - 2.0 A. When I refined my >structure using REFMAC5, the resolution that it gives is 70.88 - 1.94 A, >the difference of 0.04 A. I also used Phenix.refine which gives the >resolution output as it is in the MTZ file. Again, EDS (validation report) >gives the right resolution. What could be the possible reason for this >discrepancy? I have the structure deposited in the Protein Data Bank and it >is on hold. Thank you in advance for your help. > >Thank you, > > > > > > >*Venkatareddy Dadireddy,B1-10,Prof. S. Ramakumar's Lab,Dept. of >Physics,IISc, Banglore.Cell: 07259492227* > >######################################################################## > >To unsubscribe from the CCP4BB list, click the following link: >https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > >This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing >list hosted by www.jiscmail.ac.uk, terms & conditions are available at >https://www.jiscmail.ac.uk/policyandsecurity/ > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
