Hi everyone, I am working on one of the x-ray diffraction data. Refinement details are given below. My solvent b factor is 18.44. Can anyone pls suggest me how to improve the data? Thank you. -- Mr. Mandar Bhutkar, Ph.D. student, Molecular Virology lab, IIT Roorkee.
Resolution range 23.06–2.60 Space group P 2 21 21 Unit cell dimensions: a b c (Å) α, β, γ (°) 51.6 60.7 184.36 90 90 90 Completeness (%) 99.3 Rmerge a 0.372 I/σ(I) 2.67 CC(1/2) 0.773 Refinement Reflections used in refinement 10011 Reflections used for R-free 924 R-workb 0.231 R-freeb 0.273 Wilson B-factor (Å) 28.9 Number of non-hydrogen atoms 4302 Macromolecules 4086 Ligands 94 Solvent 124 Protein residues 508 RMS (bonds) (Å)c 0.01 RMS (angles) (˚) c 1.89 Ramachandran Plot Favored (%) 97.83 Allowed (%) 1.38 Outliers (%) 0.79 Average B-factor (Å) 28.0 macromolecules (Å) 28.65 ligands (Å) 48.98 solvent (Å) 18.44 ######################################################################## 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/
