Covid19Pdb2ZU5

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:
    1.618         0.9652   0.0000   0.2614       a* + 0.006 c*
    1.642         0.0000   1.0000   0.0000       b*
    1.595        -0.2614   0.0000   0.9652      -0.470 a* + 0.882 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.36 %   
Rotamer outliers      =   2.66 %   
C-beta deviations     =     1   
Clashscore            =   7.10   
RMS(bonds)            =   0.0201   
RMS(angles)           =   1.99   
MolProbity score      =   1.71   
Resolution            =   1.65   
R-work                =   0.1830   
R-free                =   0.2080   

Additional analysis:

Number of waters      =   460

<B> (all atoms) =   26.47 ( sd =    9.74 ) for       2876 non-hydrogen atoms
<B>   (protein) =   23.97 ( sd =    7.40 ) for       2371 non-hydrogen atoms
<B>     (water) =   39.80 ( sd =    9.97 ) for        460 non-hydrogen atoms
<B>    (others) =   22.53 ( sd =    4.50 ) for         45 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.67 /   78.31
B min/max   (protein non-hydrogen atoms) =   11.67 /   55.96
B min/max     (water non-hydrogen atoms) =   16.30 /   78.31
B min/max     (other non-hydrogen atoms) =   16.45 /   33.74

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.03 %   
Rotamer outliers      =   2.28 %   
C-beta deviations     =     1   
Clashscore            =   1.46   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.57   
MolProbity score      =   1.16   
Resolution            =   1.65   
R-work                =   0.1712   
R-free                =   0.1918   

Additional analysis:

Number of waters      =   477

<B> (all atoms) =   27.33 ( sd =   11.32 ) for       2893 non-hydrogen atoms
<B>   (protein) =   24.24 ( sd =    7.71 ) for       2371 non-hydrogen atoms
<B>     (water) =   43.28 ( sd =   13.33 ) for        477 non-hydrogen atoms
<B>    (others) =   21.55 ( sd =    3.71 ) for         45 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.30 /   76.97
B min/max   (protein non-hydrogen atoms) =   13.30 /   61.44
B min/max     (water non-hydrogen atoms) =   15.38 /   76.97
B min/max     (other non-hydrogen atoms) =   17.31 /   28.51

Refinement progression:

Results: