Covid19Pdb6W01

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:
    1.884         1.0000   0.0000   0.0000       0.894 a* - 0.447 b*
    1.884         0.0000   1.0000   0.0000       b*
    1.895         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.26 %   
Rotamer outliers      =   0.95 %   
C-beta deviations     =     0   
Clashscore            =   2.17   
RMS(bonds)            =   0.0117   
RMS(angles)           =   1.30   
MolProbity score      =   0.99   
Resolution            =   1.90   
R-work                =   0.1610   
R-free                =   0.1850   

Additional analysis:

Number of waters      =   519

<B> (all atoms) =   41.25 ( sd =   14.68 ) for       6253 non-hydrogen atoms
<B>   (protein) =   40.33 ( sd =   14.51 ) for       5599 non-hydrogen atoms
<B>     (water) =   45.41 ( sd =   10.65 ) for        519 non-hydrogen atoms
<B>    (others) =   62.60 ( sd =   15.21 ) for        135 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   19.71 /  111.79
B min/max   (protein non-hydrogen atoms) =   19.71 /  111.79
B min/max     (water non-hydrogen atoms) =   23.71 /   70.18
B min/max     (other non-hydrogen atoms) =   30.87 /   94.54

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.55 %   
Rotamer outliers      =   1.11 %   
C-beta deviations     =     1   
Clashscore            =   2.09   
RMS(bonds)            =   0.0120   
RMS(angles)           =   1.52   
MolProbity score      =   1.01   
Resolution            =   1.90   
R-work                =   0.1648   
R-free                =   0.1835   

Additional analysis:

Number of waters      =   760

<B> (all atoms) =   40.77 ( sd =   13.84 ) for       6494 non-hydrogen atoms
<B>   (protein) =   38.61 ( sd =   12.31 ) for       5599 non-hydrogen atoms
<B>     (water) =   52.95 ( sd =   15.04 ) for        760 non-hydrogen atoms
<B>    (others) =   59.97 ( sd =   12.86 ) for        135 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   20.76 /   96.36
B min/max   (protein non-hydrogen atoms) =   20.76 /   87.46
B min/max     (water non-hydrogen atoms) =   22.09 /   96.36
B min/max     (other non-hydrogen atoms) =   36.37 /   84.10

Refinement progression:

Results: