Covid19Pdb6C6Y

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:
    3.433         1.0000   0.0000   0.0000       a*
    3.742         0.0000   1.0000   0.0000       b*
    3.264         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.72 %   
              favored =  93.93 %   
Rotamer outliers      =   8.48 %   
C-beta deviations     =     0   
Clashscore            =   8.99   
RMS(bonds)            =   0.0037   
RMS(angles)           =   0.99   
MolProbity score      =   2.59   
Resolution            =   3.32   
R-work                =   0.2320   
R-free                =   0.2670   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =   87.25 ( sd =   48.29 ) for       9703 non-hydrogen atoms
<B>   (protein) =   87.24 ( sd =   48.29 ) for       9698 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =  116.21 ( sd =    0.45 ) for          5 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    4.17 /  397.97
B min/max   (protein non-hydrogen atoms) =    4.17 /  397.97
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =  115.49 /  116.81

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   2.16 %   
              favored =  90.89 %   
Rotamer outliers      =  13.25 %   
C-beta deviations     =    11   
Clashscore            =   8.15   
RMS(bonds)            =   0.0120   
RMS(angles)           =   1.70   
MolProbity score      =   2.82   
Resolution            =   3.32   
R-work                =   0.2038   
R-free                =   0.2556   

Additional analysis:

Number of waters      =    54

<B> (all atoms) =   89.04 ( sd =   30.92 ) for       9757 non-hydrogen atoms
<B>   (protein) =   89.35 ( sd =   30.68 ) for       9698 non-hydrogen atoms
<B>     (water) =   29.93 ( sd =   12.73 ) for         54 non-hydrogen atoms
<B>    (others) =  124.57 ( sd =    0.04 ) for          5 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    6.86 /  193.28
B min/max   (protein non-hydrogen atoms) =   35.13 /  193.28
B min/max     (water non-hydrogen atoms) =    6.86 /   60.43
B min/max     (other non-hydrogen atoms) =  124.53 /  124.63

Refinement progression:

Results: