Covid19Pdb3VB4

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:
    2.143         0.9996   0.0000  -0.0293       0.950 a* - 0.314 c*
    2.164         0.0000   1.0000   0.0000       b*
    2.158         0.0293   0.0000   0.9996       0.024 a* + c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.17 %   
              favored =  95.87 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     2   
Clashscore            =   5.32   
RMS(bonds)            =   0.0092   
RMS(angles)           =   1.11   
MolProbity score      =   1.71   
Resolution            =   2.20   
R-work                =   0.1820   
R-free                =   0.2350   

Additional analysis:

Number of waters      =   201

<B> (all atoms) =   35.91 ( sd =   12.21 ) for       5027 non-hydrogen atoms
<B>   (protein) =   35.70 ( sd =   12.37 ) for       4756 non-hydrogen atoms
<B>     (water) =   38.56 ( sd =    7.83 ) for        201 non-hydrogen atoms
<B>    (others) =   41.97 ( sd =    8.80 ) for         70 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.85 /   95.99
B min/max   (protein non-hydrogen atoms) =   16.85 /   95.99
B min/max     (water non-hydrogen atoms) =   19.50 /   58.95
B min/max     (other non-hydrogen atoms) =   29.46 /   66.13

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.69 %   
Rotamer outliers      =   2.27 %   
C-beta deviations     =     0   
Clashscore            =   4.48   
RMS(bonds)            =   0.0126   
RMS(angles)           =   1.61   
MolProbity score      =   1.56   
Resolution            =   2.20   
R-work                =   0.1887   
R-free                =   0.2201   

Additional analysis:

Number of waters      =   254

<B> (all atoms) =   41.18 ( sd =   13.20 ) for       5080 non-hydrogen atoms
<B>   (protein) =   40.60 ( sd =   13.10 ) for       4756 non-hydrogen atoms
<B>     (water) =   48.75 ( sd =   12.35 ) for        254 non-hydrogen atoms
<B>    (others) =   52.84 ( sd =    6.93 ) for         70 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   21.67 /  113.11
B min/max   (protein non-hydrogen atoms) =   21.67 /  105.18
B min/max     (water non-hydrogen atoms) =   24.00 /  113.11
B min/max     (other non-hydrogen atoms) =   40.82 /   65.54

Refinement progression:

Results: