Hi Faisil, Looking at your table, I think your data can go to even higher resolution than you report. Did you setup your data collection for higher resolution?
Cheers, Scott ******************************************** Scott T. R. Walsh, Ph.D. Assistant Professor University of Maryland College Park Dept of Cell Biology and Molecular Genetics Institute for Bioscience and Biotechnology Research Rm 3127E SG II 9600 Gudelsky Drive Rockville, MD 20850 email: swals...@umd.edu<mailto:swals...@umd.edu> phone: (240) 314-6478 fax: (240) 314-6255 On Feb 6, 2015, at 10:51 AM, Robbie Joosten <robbie_joos...@hotmail.com<mailto:robbie_joos...@hotmail.com>> wrote: Hi Faisal, A lower R-free than R in the highest bin is not a big problem. The test set in you highest resolution bin may be quite small which makes the values not so reliable. Phenix uses different bins from what Refmac uses so you cannot compare the values. If you performed your final refinement with Refmac, you should also take the values from Refmac for your 'Table 1'. A pet peeve of mine: please report the bond length and angle rmsZ next to (or instead of) the rmsd in Table 1. The values are in your Refmac log file. Cheers, Robbie ________________________________ Date: Fri, 6 Feb 2015 15:29:00 +0000 From: faisaltari...@gmail.com<mailto:faisaltari...@gmail.com> Subject: [ccp4bb] Bin R and Rfree values To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Hi everbody, I have one question with regards to the Bin R and Rfree values. My overall R and Rfree values for (resolution1.4 angstrom) is 15% and 19% respectively. But, the values in bin as shown in PDB header after the refinement from the REFMAC are 15.7% for R and 14.5% for Rfree. In this R is more than Rfree although overall values are fine. Apart from this, when i am generating table 1 by Phenix, the output is giving the bin values as 16% and 18% for R and Rfree respectively. Can anybody suggest what need to be done? Resolution range (Ã…) 31.42 - 1.4 (1.45 - 1.4) Multiplicity 6.4 (6.4) Completeness (%) 98.06 (97.16) Mean I/sigma(I) 18.51 (12.82) Wilson B-factor 14.51 R-merge 0.0948 (0.1303) R-meas 0.1036 CC1/2 0.99 (0.986) CC* 0.997 (0.996) R-work 0.1578 (0.1660) R-free 0.1944 (0.1869) Faisal School of Life Sciences JNU
