Covid19Pdb4ZPV

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:
    3.562         1.0000   0.0000   0.0000       a*
    3.455         0.0000   1.0000   0.0000       b*
    3.061         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.64 %   
              favored =  96.40 %   
Rotamer outliers      =  28.76 %   
C-beta deviations     =    10   
Clashscore            =  64.48   
RMS(bonds)            =   0.0170   
RMS(angles)           =   1.62   
MolProbity score      =   3.63   
Resolution            =   3.20   
R-work                =   0.2230   
R-free                =   0.2810   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =   69.51 ( sd =   32.23 ) for       9733 non-hydrogen atoms
<B>   (protein) =   69.65 ( sd =   32.17 ) for       9705 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =   20.00 ( sd =    0.00 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.63 /  309.39
B min/max   (protein non-hydrogen atoms) =   15.63 /  309.39
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =   20.00 /   20.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.88 %   
              favored =  93.92 %   
Rotamer outliers      =  10.51 %   
C-beta deviations     =     2   
Clashscore            =   8.45   
RMS(bonds)            =   0.0122   
RMS(angles)           =   1.64   
MolProbity score      =   2.64   
Resolution            =   3.20   
R-work                =   0.1838   
R-free                =   0.2431   

Additional analysis:

Number of waters      =    67

<B> (all atoms) =   79.10 ( sd =   23.93 ) for       9800 non-hydrogen atoms
<B>   (protein) =   79.29 ( sd =   23.63 ) for       9705 non-hydrogen atoms
<B>     (water) =   33.67 ( sd =   13.26 ) for         67 non-hydrogen atoms
<B>    (others) =  118.69 ( sd =    9.33 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    3.85 /  156.82
B min/max   (protein non-hydrogen atoms) =   38.60 /  156.82
B min/max     (water non-hydrogen atoms) =    3.85 /   72.70
B min/max     (other non-hydrogen atoms) =  108.34 /  129.06

Refinement progression:

Results: