Covid19Pdb4WTG

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:
    2.895         1.0000   0.0000   0.0000       0.894 a* - 0.447 b*
    2.895         0.0000   1.0000   0.0000       b*
    2.814         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.38 %   
              favored =  94.75 %   
Rotamer outliers      =   3.02 %   
C-beta deviations     =     0   
Clashscore            =   4.24   
RMS(bonds)            =   0.0102   
RMS(angles)           =   1.47   
MolProbity score      =   1.93   
Resolution            =   2.90   
R-work                =   0.1790   
R-free                =   0.2320   

Additional analysis:

Number of waters      =    59

<B> (all atoms) =   58.90 ( sd =   15.31 ) for       4416 non-hydrogen atoms
<B>   (protein) =   57.61 ( sd =   14.07 ) for       4073 non-hydrogen atoms
<B>     (water) =   43.18 ( sd =    6.86 ) for         59 non-hydrogen atoms
<B>    (others) =   80.70 ( sd =   15.66 ) for        284 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   26.56 /  138.98
B min/max   (protein non-hydrogen atoms) =   34.21 /  122.85
B min/max     (water non-hydrogen atoms) =   26.56 /   55.11
B min/max     (other non-hydrogen atoms) =   48.54 /  138.98

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.38 %   
              favored =  96.44 %   
Rotamer outliers      =   3.72 %   
C-beta deviations     =     0   
Clashscore            =   3.06   
RMS(bonds)            =   0.0128   
RMS(angles)           =   1.61   
MolProbity score      =   1.77   
Resolution            =   2.90   
R-work                =   0.1753   
R-free                =   0.2200   

Additional analysis:

Number of waters      =   132

<B> (all atoms) =   64.30 ( sd =   14.47 ) for       4489 non-hydrogen atoms
<B>   (protein) =   62.39 ( sd =   11.53 ) for       4073 non-hydrogen atoms
<B>     (water) =   56.16 ( sd =   12.66 ) for        132 non-hydrogen atoms
<B>    (others) =   95.46 ( sd =   16.55 ) for        284 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   31.12 /  135.15
B min/max   (protein non-hydrogen atoms) =   42.43 /  120.58
B min/max     (water non-hydrogen atoms) =   31.12 /  128.27
B min/max     (other non-hydrogen atoms) =   60.54 /  135.15

Refinement progression:

Results: