Covid19Pdb2Z9L

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:
    2.045         1.0000   0.0000   0.0000       0.956 a* - 0.293 c*
    2.066         0.0000   1.0000   0.0000       b*
    2.058         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   1.34 %   
              favored =  94.45 %   
Rotamer outliers      =   3.87 %   
C-beta deviations     =     0   
Clashscore            =  16.18   
RMS(bonds)            =   0.0118   
RMS(angles)           =   1.76   
MolProbity score      =   2.54   
Resolution            =   2.10   
R-work                =   0.1960   
R-free                =   0.2590   

Additional analysis:

Number of waters      =   493

<B> (all atoms) =   36.07 ( sd =   10.93 ) for       5171 non-hydrogen atoms
<B>   (protein) =   34.99 ( sd =   10.50 ) for       4656 non-hydrogen atoms
<B>     (water) =   45.57 ( sd =    9.88 ) for        493 non-hydrogen atoms
<B>    (others) =   50.58 ( sd =    8.67 ) for         22 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.83 /   71.99
B min/max   (protein non-hydrogen atoms) =   13.83 /   71.99
B min/max     (water non-hydrogen atoms) =   17.79 /   69.44
B min/max     (other non-hydrogen atoms) =   33.99 /   64.33

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.48 %   
Rotamer outliers      =   4.64 %   
C-beta deviations     =     0   
Clashscore            =   3.67   
RMS(bonds)            =   0.0122   
RMS(angles)           =   1.57   
MolProbity score      =   1.77   
Resolution            =   2.09   
R-work                =   0.1926   
R-free                =   0.2302   

Additional analysis:

Number of waters      =   499

<B> (all atoms) =   37.29 ( sd =   14.62 ) for       5177 non-hydrogen atoms
<B>   (protein) =   35.54 ( sd =   13.53 ) for       4656 non-hydrogen atoms
<B>     (water) =   52.95 ( sd =   14.89 ) for        499 non-hydrogen atoms
<B>    (others) =   52.04 ( sd =    7.86 ) for         22 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.15 /  126.03
B min/max   (protein non-hydrogen atoms) =   15.15 /  102.32
B min/max     (water non-hydrogen atoms) =   17.72 /  126.03
B min/max     (other non-hydrogen atoms) =   38.02 /   65.56

Refinement progression:

Results: