Content:
Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface: 1.774 1.0000 0.0000 0.0000 a* 1.558 0.0000 1.0000 0.0000 b* 1.514 0.0000 0.0000 1.0000 c*
Date deposited | Date data collection | Resolution | R, Rfree |
20170529 | 20160227 | 1.57 | 0.1820 0.2150 |
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 0.00 % favored = 98.80 % Rotamer outliers = 0.67 % C-beta deviations = 0 Clashscore = 2.55 RMS(bonds) = 0.0063 RMS(angles) = 1.18 MolProbity score = 1.04 Resolution = 1.57 R-work = 0.1820 R-free = 0.2150
Additional analysis:
Number of waters = 953 <B> (all atoms) = 27.42 ( sd = 12.76 ) for 7532 non-hydrogen atoms <B> (protein) = 25.80 ( sd = 12.24 ) for 6557 non-hydrogen atoms <B> (water) = 38.34 ( sd = 10.63 ) for 953 non-hydrogen atoms <B> (others) = 36.36 ( sd = 10.56 ) for 22 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 9.29 / 85.14 B min/max (protein non-hydrogen atoms) = 9.29 / 85.14 B min/max (water non-hydrogen atoms) = 14.34 / 68.56 B min/max (other non-hydrogen atoms) = 19.30 / 57.33
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 0.00 % favored = 99.16 % Rotamer outliers = 0.93 % C-beta deviations = 0 Clashscore = 1.70 RMS(bonds) = 0.0110 RMS(angles) = 1.61 MolProbity score = 0.92 Resolution = 1.57 R-work = 0.1868 R-free = 0.2155
Additional analysis:
Number of waters = 1051 <B> (all atoms) = 26.51 ( sd = 11.60 ) for 7630 non-hydrogen atoms <B> (protein) = 24.24 ( sd = 9.72 ) for 6557 non-hydrogen atoms <B> (water) = 40.59 ( sd = 12.42 ) for 1051 non-hydrogen atoms <B> (others) = 30.82 ( sd = 4.91 ) for 22 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 10.76 / 78.43 B min/max (protein non-hydrogen atoms) = 10.76 / 68.64 B min/max (water non-hydrogen atoms) = 13.67 / 78.43 B min/max (other non-hydrogen atoms) = 22.26 / 42.05
Refinement progression:
Results:
File | Remark |
5VZR_aB_refine.01_04_refine.pdb.gz | exact refinement commands are in header |
5VZR_aB_refine.01_04_refine.mtz.gz | including original deposited data and several re-refinement map coefficients |
5VZR_aB_refine.01_04_BUSTER_model.cif.gz | including any non-standard compound restraints |
5VZR_aB_refine.01_04_BUSTER_refln.cif.gz |