Covid19Pdb3BGF

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:
    3.131         1.0000   0.0000   0.0000       a*
    2.908         0.0000   1.0000   0.0000       b*
    2.910         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.92 %   
              favored =  91.95 %   
Rotamer outliers      =   3.39 %   
C-beta deviations     =     0   
Clashscore            =  14.28   
RMS(bonds)            =   0.0177   
RMS(angles)           =   1.17   
MolProbity score      =   2.55   
Resolution            =   3.00   
R-work                =   0.2340   
R-free                =   0.2860   

Additional analysis:

Number of waters      =     6

<B> (all atoms) =   46.99 ( sd =   14.52 ) for       9417 non-hydrogen atoms
<B>   (protein) =   47.01 ( sd =   14.51 ) for       9411 non-hydrogen atoms
<B>     (water) =   24.95 ( sd =    7.43 ) for          6 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.62 /   92.83
B min/max   (protein non-hydrogen atoms) =   22.89 /   92.83
B min/max     (water non-hydrogen atoms) =   11.62 /   35.98
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.17 %   
              favored =  95.38 %   
Rotamer outliers      =   8.18 %   
C-beta deviations     =     2   
Clashscore            =   5.14   
RMS(bonds)            =   0.0125   
RMS(angles)           =   1.63   
MolProbity score      =   2.29   
Resolution            =   3.00   
R-work                =   0.1936   
R-free                =   0.2517   

Additional analysis:

Number of waters      =   235

<B> (all atoms) =   62.06 ( sd =   20.31 ) for       9646 non-hydrogen atoms
<B>   (protein) =   62.60 ( sd =   20.20 ) for       9411 non-hydrogen atoms
<B>     (water) =   40.25 ( sd =    9.77 ) for        235 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   19.04 /  136.63
B min/max   (protein non-hydrogen atoms) =   31.00 /  136.63
B min/max     (water non-hydrogen atoms) =   19.04 /   77.66
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: