Hi Kay, Thank you very much for your insights. Following are the cell parameters from mtz and pdb header. *MTZ: 117.8560 66.1700 70.9040 90.0000 91.4240 90.000*
*CRYST1 117.856 66.170 70.904 90.00 91.42 90.00 C 1 2 1* The only difference is in the 3rd decimal point. Thank you, Venkat On Tue, Apr 2, 2024 at 10:10 PM Kay Diederichs < kay.diederi...@uni-konstanz.de> wrote: > 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/ > -- *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/
