Content:
Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:
3.093 1.0000 0.0000 0.0000 0.924 a* - 0.382 c*
3.063 0.0000 1.0000 0.0000 b*
3.134 0.0000 0.0000 1.0000 c*
| Date deposited | Date data collection | Resolution | R, Rfree |
| 20150513 | 20140506 | 3.17 | 0.2030 0.2450 |
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 1.19 %
favored = 92.80 %
Rotamer outliers = 8.73 %
C-beta deviations = 0
Clashscore = 7.18
RMS(bonds) = 0.0111
RMS(angles) = 1.49
MolProbity score = 2.57
Resolution = 3.17
R-work = 0.2030
R-free = 0.2450
Additional analysis:
Number of waters = 0 <B> (all atoms) = 68.90 ( sd = 19.24 ) for 9854 non-hydrogen atoms <B> (protein) = 68.77 ( sd = 19.19 ) for 9798 non-hydrogen atoms <B> (water) = 0.00 ( sd = 0.00 ) for 0 non-hydrogen atoms <B> (others) = 91.70 ( sd = 13.98 ) for 56 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 32.55 / 137.23 B min/max (protein non-hydrogen atoms) = 32.55 / 137.23 B min/max (water non-hydrogen atoms) = 0.00 / 0.00 B min/max (other non-hydrogen atoms) = 74.31 / 118.05
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 0.95 %
favored = 93.99 %
Rotamer outliers = 9.45 %
C-beta deviations = 10
Clashscore = 5.13
RMS(bonds) = 0.0115
RMS(angles) = 1.61
MolProbity score = 2.42
Resolution = 3.17
R-work = 0.1797
R-free = 0.2122
Additional analysis:
Number of waters = 106 <B> (all atoms) = 78.38 ( sd = 20.78 ) for 9960 non-hydrogen atoms <B> (protein) = 78.37 ( sd = 20.36 ) for 9798 non-hydrogen atoms <B> (water) = 58.20 ( sd = 26.45 ) for 106 non-hydrogen atoms <B> (others) = 118.94 ( sd = 23.93 ) for 56 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 27.08 / 300.00 B min/max (protein non-hydrogen atoms) = 34.82 / 159.13 B min/max (water non-hydrogen atoms) = 27.08 / 300.00 B min/max (other non-hydrogen atoms) = 90.71 / 159.96
Refinement progression:
 |
Results:
| File | Remark |
| 4ZS6_aB_refine.01_04_refine.pdb.gz | exact refinement commands are in header |
| 4ZS6_aB_refine.01_04_refine.mtz.gz | including original deposited data and several re-refinement map coefficients |
| 4ZS6_aB_refine.01_04_BUSTER_model.cif.gz | including any non-standard compound restraints |
| 4ZS6_aB_refine.01_04_BUSTER_refln.cif.gz |