Covid19Pdb5FO8

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

    Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:
    2.402         1.0000   0.0000   0.0000       a*
    2.331         0.0000   1.0000   0.0000       b*
    2.523         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.06 %   
              favored =  96.91 %   
Rotamer outliers      =   4.77 %   
C-beta deviations     =     0   
Clashscore            =   5.26   
RMS(bonds)            =   0.0046   
RMS(angles)           =   0.88   
MolProbity score      =   1.98   
Resolution            =   2.40   
R-work                =   0.1879   
R-free                =   0.2188   

Additional analysis:

Number of waters      =   492

<B> (all atoms) =   67.38 ( sd =   24.05 ) for      13810 non-hydrogen atoms
<B>   (protein) =   67.48 ( sd =   24.18 ) for      13123 non-hydrogen atoms
<B>     (water) =   56.94 ( sd =   10.21 ) for        492 non-hydrogen atoms
<B>    (others) =   87.18 ( sd =   26.66 ) for        195 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.85 /  228.03
B min/max   (protein non-hydrogen atoms) =   16.85 /  228.03
B min/max     (water non-hydrogen atoms) =   24.14 /   79.09
B min/max     (other non-hydrogen atoms) =   33.37 /  153.61

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.12 %   
              favored =  97.21 %   
Rotamer outliers      =   4.63 %   
C-beta deviations     =     3   
Clashscore            =   3.98   
RMS(bonds)            =   0.0117   
RMS(angles)           =   1.54   
MolProbity score      =   1.83   
Resolution            =   2.40   
R-work                =   0.1941   
R-free                =   0.2322   

Additional analysis:

Number of waters      =   915

<B> (all atoms) =   57.32 ( sd =   19.51 ) for      14233 non-hydrogen atoms
<B>   (protein) =   57.20 ( sd =   19.77 ) for      13123 non-hydrogen atoms
<B>     (water) =   55.93 ( sd =   13.19 ) for        915 non-hydrogen atoms
<B>    (others) =   72.26 ( sd =   20.96 ) for        195 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.30 /  134.09
B min/max   (protein non-hydrogen atoms) =   15.30 /  134.09
B min/max     (water non-hydrogen atoms) =   18.28 /  123.82
B min/max     (other non-hydrogen atoms) =   29.11 /  109.80

Refinement progression:

Results: