Covid19Pdb5REV

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:
    1.627         0.9973   0.0000   0.0738       0.998 a* - 0.060 c*
    1.653         0.0000   1.0000   0.0000       b*
    1.514        -0.0738   0.0000   0.9973      -0.185 a* + 0.983 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.68 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     2   
Clashscore            =   4.86   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.83   
MolProbity score      =   1.32   
Resolution            =   1.60   
R-work                =   0.1760   
R-free                =   0.2220   

Additional analysis:

Number of waters      =   335

<B> (all atoms) =   23.22 ( sd =    9.47 ) for       2735 non-hydrogen atoms
<B>   (protein) =   21.61 ( sd =    8.45 ) for       2370 non-hydrogen atoms
<B>     (water) =   33.39 ( sd =    9.80 ) for        335 non-hydrogen atoms
<B>    (others) =   39.47 ( sd =   11.11 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.18 /   65.91
B min/max   (protein non-hydrogen atoms) =   11.18 /   64.92
B min/max     (water non-hydrogen atoms) =   11.93 /   65.91
B min/max     (other non-hydrogen atoms) =   22.65 /   61.61

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   2.53   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.54   
MolProbity score      =   1.04   
Resolution            =   1.60   
R-work                =   0.1840   
R-free                =   0.2179   

Additional analysis:

Number of waters      =   323

<B> (all atoms) =   24.37 ( sd =    8.81 ) for       2723 non-hydrogen atoms
<B>   (protein) =   22.67 ( sd =    7.26 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.87 ( sd =   10.17 ) for        323 non-hydrogen atoms
<B>    (others) =   34.91 ( sd =   10.02 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.52 /   78.39
B min/max   (protein non-hydrogen atoms) =   11.52 /   60.75
B min/max     (water non-hydrogen atoms) =   13.48 /   78.39
B min/max     (other non-hydrogen atoms) =   25.44 /   43.89

Refinement progression:

Results: