Covid19Pdb2GX4

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:
    1.902         0.8775   0.0000   0.4796       0.991 a* + 0.133 c*
    1.900         0.0000   1.0000   0.0000       b*
    1.858        -0.4796   0.0000   0.8775      -0.711 a* + 0.703 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.37 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   7.74   
RMS(bonds)            =   0.0060   
RMS(angles)           =   1.43   
MolProbity score      =   1.68   
Resolution            =   1.93   
R-work                =   0.2050   
R-free                =   0.2490   

Additional analysis:

Number of waters      =   257

<B> (all atoms) =   39.27 ( sd =   10.89 ) for       2671 non-hydrogen atoms
<B>   (protein) =   38.52 ( sd =   10.71 ) for       2371 non-hydrogen atoms
<B>     (water) =   47.10 ( sd =   10.20 ) for        257 non-hydrogen atoms
<B>    (others) =   33.98 ( sd =    2.82 ) for         43 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   18.78 /   78.40
B min/max   (protein non-hydrogen atoms) =   18.78 /   78.40
B min/max     (water non-hydrogen atoms) =   23.44 /   71.87
B min/max     (other non-hydrogen atoms) =   27.73 /   39.54

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.36 %   
Rotamer outliers      =   3.80 %   
C-beta deviations     =     1   
Clashscore            =   2.51   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.59   
MolProbity score      =   1.48   
Resolution            =   1.93   
R-work                =   0.1837   
R-free                =   0.2142   

Additional analysis:

Number of waters      =   328

<B> (all atoms) =   41.88 ( sd =   11.41 ) for       2742 non-hydrogen atoms
<B>   (protein) =   40.33 ( sd =   10.16 ) for       2371 non-hydrogen atoms
<B>     (water) =   54.09 ( sd =   13.02 ) for        328 non-hydrogen atoms
<B>    (others) =   34.15 ( sd =    2.86 ) for         43 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   24.26 /  109.39
B min/max   (protein non-hydrogen atoms) =   24.26 /   79.49
B min/max     (water non-hydrogen atoms) =   26.24 /  109.39
B min/max     (other non-hydrogen atoms) =   30.06 /   38.94

Refinement progression:

Results: