Covid19Pdb2GZ9

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:
    2.065         0.8627   0.0000   0.5057       0.989 a* + 0.151 c*
    2.087         0.0000   1.0000   0.0000       b*
    2.024        -0.5057   0.0000   0.8627      -0.727 a* + 0.687 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.03 %   
Rotamer outliers      =   6.08 %   
C-beta deviations     =     3   
Clashscore            =   7.03   
RMS(bonds)            =   0.0111   
RMS(angles)           =   1.31   
MolProbity score      =   1.98   
Resolution            =   2.17   
R-work                =   0.2090   
R-free                =   0.2480   

Additional analysis:

Number of waters      =   179

<B> (all atoms) =   35.62 ( sd =    8.00 ) for       2549 non-hydrogen atoms
<B>   (protein) =   35.18 ( sd =    7.69 ) for       2370 non-hydrogen atoms
<B>     (water) =   41.50 ( sd =    9.57 ) for        179 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.29 /   76.23
B min/max   (protein non-hydrogen atoms) =   15.29 /   61.93
B min/max     (water non-hydrogen atoms) =   20.18 /   76.23
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.37 %   
Rotamer outliers      =   4.94 %   
C-beta deviations     =     0   
Clashscore            =   2.77   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.57   
MolProbity score      =   1.72   
Resolution            =   2.10   
R-work                =   0.1906   
R-free                =   0.2224   

Additional analysis:

Number of waters      =   247

<B> (all atoms) =   41.03 ( sd =    9.96 ) for       2617 non-hydrogen atoms
<B>   (protein) =   40.14 ( sd =    9.46 ) for       2370 non-hydrogen atoms
<B>     (water) =   49.63 ( sd =   10.51 ) for        247 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   23.33 /   91.75
B min/max   (protein non-hydrogen atoms) =   23.33 /   83.58
B min/max     (water non-hydrogen atoms) =   23.94 /   91.75
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: