Covid19Pdb4MOD

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:
    1.847         1.0000   0.0000   0.0000       0.894 a* - 0.447 b*
    1.847         0.0000   1.0000   0.0000       b*
    1.859         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.69 %   
              favored =  97.92 %   
Rotamer outliers      =   8.21 %   
C-beta deviations     =     0   
Clashscore            =   6.66   
RMS(bonds)            =   0.0088   
RMS(angles)           =   1.06   
MolProbity score      =   2.08   
Resolution            =   1.90   
R-work                =   0.1850   
R-free                =   0.2140   

Additional analysis:

Number of waters      =   129

<B> (all atoms) =   21.67 ( sd =   15.13 ) for       1329 non-hydrogen atoms
<B>   (protein) =   20.64 ( sd =   15.23 ) for       1200 non-hydrogen atoms
<B>     (water) =   31.26 ( sd =    9.97 ) for        129 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    2.84 /   89.40
B min/max   (protein non-hydrogen atoms) =    2.84 /   89.40
B min/max     (water non-hydrogen atoms) =    5.96 /   54.48
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.61 %   
Rotamer outliers      =   8.96 %   
C-beta deviations     =     0   
Clashscore            =   3.33   
RMS(bonds)            =   0.0128   
RMS(angles)           =   1.22   
MolProbity score      =   1.85   
Resolution            =   1.90   
R-work                =   0.1857   
R-free                =   0.2240   

Additional analysis:

Number of waters      =   153

<B> (all atoms) =   24.75 ( sd =   12.66 ) for       1353 non-hydrogen atoms
<B>   (protein) =   23.19 ( sd =   12.00 ) for       1200 non-hydrogen atoms
<B>     (water) =   36.91 ( sd =   11.15 ) for        153 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    6.75 /  128.73
B min/max   (protein non-hydrogen atoms) =    9.42 /   63.27
B min/max     (water non-hydrogen atoms) =    6.75 /  128.73
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: