Content:
Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:
4.830 1.0000 0.0000 0.0000 a*
4.002 0.0000 1.0000 0.0000 b*
3.985 0.0000 0.0000 1.0000 c*
| Date deposited | Date data collection | Resolution | R, Rfree |
| 20151118 | 4.19 | 0.2695 0.3073 |
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 1.83 %
favored = 91.80 %
Rotamer outliers = 11.03 %
C-beta deviations = 5
Clashscore = 39.21
RMS(bonds) = 0.0149
RMS(angles) = 2.08
MolProbity score = 3.36
Resolution = 4.19
R-work = 0.2695
R-free = 0.3073
Additional analysis:
Number of waters = 0 <B> (all atoms) = 124.51 ( sd = 54.49 ) for 27275 non-hydrogen atoms <B> (protein) = 124.51 ( sd = 54.49 ) for 27275 non-hydrogen atoms <B> (water) = 0.00 ( sd = 0.00 ) for 0 non-hydrogen atoms <B> (others) = 0.00 ( sd = 0.00 ) for 0 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 0.00 / 444.67 B min/max (protein non-hydrogen atoms) = 0.00 / 444.67 B min/max (water non-hydrogen atoms) = 0.00 / 0.00 B min/max (other non-hydrogen atoms) = 0.00 / 0.00
Molprobity (CCP4 7.0 version) summary:
Ramachandran outliers = 2.29 %
favored = 86.67 %
Rotamer outliers = 16.23 %
C-beta deviations = 9
Clashscore = 16.66
RMS(bonds) = 0.0114
RMS(angles) = 1.60
MolProbity score = 3.27
Resolution = 4.19
R-work = 0.2741
R-free = 0.3473
Additional analysis:
Number of waters = 16 <B> (all atoms) = 275.07 ( sd = 52.45 ) for 27291 non-hydrogen atoms <B> (protein) = 275.08 ( sd = 52.46 ) for 27275 non-hydrogen atoms <B> (water) = 264.82 ( sd = 8.28 ) for 16 non-hydrogen atoms <B> (others) = 0.00 ( sd = 0.00 ) for 0 non-hydrogen atoms B min/max (all non-hydrogen atoms) = 100.59 / 300.00 B min/max (protein non-hydrogen atoms) = 100.59 / 300.00 B min/max (water non-hydrogen atoms) = 250.93 / 274.19 B min/max (other non-hydrogen atoms) = 0.00 / 0.00
Refinement progression:
 |
Results:
| File | Remark |
| 5FOA_aB_refine.01_04_refine.pdb.gz | exact refinement commands are in header |
| 5FOA_aB_refine.01_04_refine.mtz.gz | including original deposited data and several re-refinement map coefficients |
| 5FOA_aB_refine.01_04_BUSTER_model.cif.gz | including any non-standard compound restraints |
| 5FOA_aB_refine.01_04_BUSTER_refln.cif.gz |