Covid19Pdb4KN6

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:
    2.570         1.0000   0.0000   0.0000       a*
    2.647         0.0000   1.0000   0.0000       b*
    2.677         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   2.13 %   
              favored =  94.15 %   
Rotamer outliers      =   9.15 %   
C-beta deviations     =     0   
Clashscore            =   6.53   
RMS(bonds)            =   0.0025   
RMS(angles)           =   0.66   
MolProbity score      =   2.48   
Resolution            =   2.73   
R-work                =   0.2480   
R-free                =   0.2780   

Additional analysis:

Number of waters      =    31

<B> (all atoms) =   37.62 ( sd =   13.78 ) for       1572 non-hydrogen atoms
<B>   (protein) =   37.63 ( sd =   13.92 ) for       1517 non-hydrogen atoms
<B>     (water) =   31.81 ( sd =    7.42 ) for         31 non-hydrogen atoms
<B>    (others) =   44.55 ( sd =    4.00 ) for         24 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.95 /   98.60
B min/max   (protein non-hydrogen atoms) =   16.95 /   98.60
B min/max     (water non-hydrogen atoms) =   21.19 /   47.50
B min/max     (other non-hydrogen atoms) =   34.65 /   49.47

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   1.06 %   
              favored =  91.49 %   
Rotamer outliers      =   6.10 %   
C-beta deviations     =     0   
Clashscore            =   1.31   
RMS(bonds)            =   0.0128   
RMS(angles)           =   1.63   
MolProbity score      =   1.96   
Resolution            =   2.73   
R-work                =   0.2263   
R-free                =   0.2910   

Additional analysis:

Number of waters      =    43

<B> (all atoms) =   38.05 ( sd =   10.04 ) for       1584 non-hydrogen atoms
<B>   (protein) =   38.22 ( sd =    9.91 ) for       1517 non-hydrogen atoms
<B>     (water) =   29.10 ( sd =   12.29 ) for         43 non-hydrogen atoms
<B>    (others) =   42.76 ( sd =    0.52 ) for         24 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    6.72 /   73.61
B min/max   (protein non-hydrogen atoms) =   22.10 /   67.83
B min/max     (water non-hydrogen atoms) =    6.72 /   73.61
B min/max     (other non-hydrogen atoms) =   41.86 /   43.61

Refinement progression:

Results: