Covid19Pdb2GHV

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:
    2.322         1.0000   0.0000   0.0000       a*
    2.322         0.0000   1.0000   0.0000       b*
    2.084         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.55 %   
              favored =  94.75 %   
Rotamer outliers      =   6.21 %   
C-beta deviations     =     0   
Clashscore            =   3.66   
RMS(bonds)            =   0.0130   
RMS(angles)           =   1.47   
MolProbity score      =   2.12   
Resolution            =   2.20   
R-work                =   0.1820   
R-free                =   0.2130   

Additional analysis:

Number of waters      =   152

<B> (all atoms) =   54.55 ( sd =    7.46 ) for       3096 non-hydrogen atoms
<B>   (protein) =   54.60 ( sd =    7.26 ) for       2944 non-hydrogen atoms
<B>     (water) =   53.73 ( sd =   10.55 ) for        152 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   35.63 /   90.95
B min/max   (protein non-hydrogen atoms) =   36.79 /   90.95
B min/max     (water non-hydrogen atoms) =   35.63 /   89.29
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.55 %   
              favored =  94.75 %   
Rotamer outliers      =   4.97 %   
C-beta deviations     =     2   
Clashscore            =   2.97   
RMS(bonds)            =   0.0117   
RMS(angles)           =   1.62   
MolProbity score      =   1.98   
Resolution            =   2.20   
R-work                =   0.1884   
R-free                =   0.2152   

Additional analysis:

Number of waters      =   243

<B> (all atoms) =   59.06 ( sd =   18.57 ) for       3187 non-hydrogen atoms
<B>   (protein) =   58.58 ( sd =   18.72 ) for       2944 non-hydrogen atoms
<B>     (water) =   64.86 ( sd =   15.52 ) for        243 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   30.66 /  155.92
B min/max   (protein non-hydrogen atoms) =   30.66 /  147.91
B min/max     (water non-hydrogen atoms) =   35.02 /  155.92
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: