Covid19Pdb6Y2E

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:
    1.729         0.9288   0.0000   0.3706       0.997 a* + 0.076 c*
    1.699         0.0000   1.0000   0.0000       b*
    1.683        -0.3706   0.0000   0.9288      -0.696 a* + 0.719 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.03 %   
Rotamer outliers      =   3.79 %   
C-beta deviations     =     0   
Clashscore            =   2.34   
RMS(bonds)            =   0.0142   
RMS(angles)           =   1.83   
MolProbity score      =   1.45   
Resolution            =   1.75
R-work                =   0.1712
R-free                =   0.2224

Additional analysis:

Number of waters      =   313

<B> (all atoms) =   27.92 ( sd =   10.78 ) for       2685 non-hydrogen atoms
<B>   (protein) =   26.71 ( sd =   10.26 ) for       2372 non-hydrogen atoms
<B>     (water) =   37.07 ( sd =   10.29 ) for        313 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.12 /  127.06
B min/max   (protein non-hydrogen atoms) =   13.12 /   80.42
B min/max     (water non-hydrogen atoms) =   15.47 /  127.06
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.70 %   
Rotamer outliers      =   3.79 %   
C-beta deviations     =     0   
Clashscore            =   1.28   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.54   
MolProbity score      =   1.36   
Resolution            =   1.75   
R-work                =   0.1761   
R-free                =   0.2083   

Additional analysis:

Number of waters      =   320

<B> (all atoms) =   28.80 ( sd =    9.68 ) for       2692 non-hydrogen atoms
<B>   (protein) =   27.32 ( sd =    8.59 ) for       2372 non-hydrogen atoms
<B>     (water) =   39.77 ( sd =   10.26 ) for        320 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.17 /   89.44
B min/max   (protein non-hydrogen atoms) =   14.17 /   69.25
B min/max     (water non-hydrogen atoms) =   16.28 /   89.44
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: