Dear Mitch, I did not run uniqueify but i have added free-R flags by running xdsconv with extra command line in in-put file
GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05 Dear Leo, This 94.5% is total completeness of the data. I am pasting below the header information in that PDB file. REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.05 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.74 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 100.00 REMARK 3 NUMBER OF REFLECTIONS : 12072 Have anybody some suggestions?? Thanks, yusuf -- Yusuf Akhter EMBL Hamburg c/o DESY, Notkestraße 85, 22603 Hamburg, Germany Thank you very much to Artem, Lijun, Dale and Paul for giving me great suggestions regarding my earlier query on D to L amino acid residues. Now one more problem is in same 3 A structure refinement. For those who not remembered my case. I have processed a diffraction data-set at 3 A using XDS. I am using Refmac for refinement. My data is 95.4% of completeness at Signal/noise >=-3. I noticed that in the header of out-put PDB file from Refmac shows 100% completeness. Is it a bug?? May somebody tell me where the problem is? Thanks in advance. yusuf -- Yusuf Akhter EMBL Hamburg c/o DESY, Notkestraße 85, 22603 Hamburg, Germany Quoting Yusuf Akhter <[EMAIL PROTECTED]>: > Hi Everybody, > > I am refining structure of a protein at 3 Angstrom. I am doing model building > in > Coot. > After several rounds of refinement using Refmac when I tried to run PROCHECK > on > my partially build model I found that some of the residues are D-amino > acids. > > How to change these D-amino acids to L-amino acids?? > > Is there any option in Coot for that?? > > > Thanks in advance, > yusuf ------------------------------------------------- This mail sent through IMP: http://horde.org/imp/
