Covid19Pdb5REC

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:
    1.838         0.9954   0.0000  -0.0954       0.992 a* - 0.124 c*
    1.747         0.0000   1.0000   0.0000       b*
    1.651         0.0954   0.0000   0.9954       0.247 a* + 0.969 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.35 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   5.06   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.81   
MolProbity score      =   1.53   
Resolution            =   1.73   
R-work                =   0.1830   
R-free                =   0.2370   

Additional analysis:

Number of waters      =   329

<B> (all atoms) =   29.49 ( sd =   10.76 ) for       2733 non-hydrogen atoms
<B>   (protein) =   27.93 ( sd =    9.79 ) for       2370 non-hydrogen atoms
<B>     (water) =   40.37 ( sd =   10.63 ) for        329 non-hydrogen atoms
<B>    (others) =   32.72 ( sd =   15.71 ) for         34 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.81 /   86.01
B min/max   (protein non-hydrogen atoms) =   15.81 /   78.41
B min/max     (water non-hydrogen atoms) =   16.09 /   86.01
B min/max     (other non-hydrogen atoms) =   18.94 /   53.77

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   2.74   
RMS(bonds)            =   0.0115   
RMS(angles)           =   1.56   
MolProbity score      =   1.06   
Resolution            =   1.73   
R-work                =   0.1834   
R-free                =   0.2223   

Additional analysis:

Number of waters      =   275

<B> (all atoms) =   29.41 ( sd =    9.28 ) for       2679 non-hydrogen atoms
<B>   (protein) =   27.95 ( sd =    7.93 ) for       2370 non-hydrogen atoms
<B>     (water) =   41.27 ( sd =   10.55 ) for        275 non-hydrogen atoms
<B>    (others) =   35.46 ( sd =   16.98 ) for         34 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.45 /   90.78
B min/max   (protein non-hydrogen atoms) =   16.45 /   69.11
B min/max     (water non-hydrogen atoms) =   17.54 /   90.78
B min/max     (other non-hydrogen atoms) =   23.08 /   58.03

Refinement progression:

Results: