Content:
Date deposited | Date data collection | Resolution | R, Rfree |
20111213 | 20100310 | 1.96 | 0.1890 0.2360 |
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 0.66 % favored = 97.36 % Rotamer outliers = 4.40 % C-beta deviations = 1 Clashscore = 5.12 RMS(bonds) = 0.0104 RMS(angles) = 1.27 MolProbity score = 1.88 Resolution = 1.96 R-work = 0.1890 R-free = 0.2360
Additional analysis:
Number of waters = 320 <B> (all atoms) = 45.91 ( sd = 14.96 ) for 2772 non-hydrogen atoms <B> (protein) = 44.87 ( sd = 15.15 ) for 2412 non-hydrogen atoms <B> (water) = 52.99 ( sd = 11.13 ) for 320 non-hydrogen atoms <B> (others) = 50.66 ( sd = 12.70 ) for 40 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 22.50 / 154.06 B min/max (protein non-hydrogen atoms) = 24.81 / 154.06 B min/max (water non-hydrogen atoms) = 22.50 / 84.76 B min/max (other non-hydrogen atoms) = 31.84 / 83.89
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 0.66 % favored = 97.69 % Rotamer outliers = 4.40 % C-beta deviations = 0 Clashscore = 3.07 RMS(bonds) = 0.0116 RMS(angles) = 1.57 MolProbity score = 1.65 Resolution = 1.96 R-work = 0.1921 R-free = 0.2216
Additional analysis:
Number of waters = 301 <B> (all atoms) = 46.88 ( sd = 12.99 ) for 2753 non-hydrogen atoms <B> (protein) = 45.09 ( sd = 11.69 ) for 2412 non-hydrogen atoms <B> (water) = 60.06 ( sd = 14.03 ) for 301 non-hydrogen atoms <B> (others) = 53.93 ( sd = 15.85 ) for 40 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 24.09 / 104.48 B min/max (protein non-hydrogen atoms) = 25.88 / 91.52 B min/max (water non-hydrogen atoms) = 24.09 / 104.48 B min/max (other non-hydrogen atoms) = 39.02 / 95.14
Refinement progression:
Results:
File | Remark |
3V3M_aB_refine.01_03_refine.pdb.gz | exact refinement commands are in header |
3V3M_aB_refine.01_03_refine.mtz.gz | including original deposited data and several re-refinement map coefficients |
3V3M_aB_refine.01_03_BUSTER_model.cif.gz | including any non-standard compound restraints |
3V3M_aB_refine.01_03_BUSTER_refln.cif.gz |