Covid19Pdb6VWW

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:
    2.516         1.0000   0.0000   0.0000       0.894 a* - 0.447 b*
    2.516         0.0000   1.0000   0.0000       b*
    2.629         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.83 %   
Rotamer outliers      =   1.43 %   
C-beta deviations     =     0   
Clashscore            =   1.76   
RMS(bonds)            =   0.0036   
RMS(angles)           =   0.91   
MolProbity score      =   1.09   
Resolution            =   2.20   
R-work                =   0.1580   
R-free                =   0.1780   

Additional analysis:

Number of waters      =   346

<B> (all atoms) =   43.98 ( sd =   15.88 ) for       6009 non-hydrogen atoms
<B>   (protein) =   43.66 ( sd =   15.94 ) for       5589 non-hydrogen atoms
<B>     (water) =   43.95 ( sd =   10.49 ) for        346 non-hydrogen atoms
<B>    (others) =   70.00 ( sd =   15.95 ) for         74 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   18.60 /  118.06
B min/max   (protein non-hydrogen atoms) =   18.60 /  118.06
B min/max     (water non-hydrogen atoms) =   20.64 /   77.41
B min/max     (other non-hydrogen atoms) =   49.72 /   94.87

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.41 %   
Rotamer outliers      =   1.91 %   
C-beta deviations     =     1   
Clashscore            =   2.56   
RMS(bonds)            =   0.0127   
RMS(angles)           =   1.56   
MolProbity score      =   1.25   
Resolution            =   2.20   
R-work                =   0.1867   
R-free                =   0.2085   

Additional analysis:

Number of waters      =   442

<B> (all atoms) =   44.95 ( sd =   13.22 ) for       6105 non-hydrogen atoms
<B>   (protein) =   44.23 ( sd =   12.78 ) for       5589 non-hydrogen atoms
<B>     (water) =   49.90 ( sd =   13.28 ) for        442 non-hydrogen atoms
<B>    (others) =   71.43 ( sd =   17.31 ) for         74 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   19.46 /   99.10
B min/max   (protein non-hydrogen atoms) =   23.05 /   92.81
B min/max     (water non-hydrogen atoms) =   19.46 /   92.89
B min/max     (other non-hydrogen atoms) =   53.18 /   99.10

Refinement progression:

Results: