Covid19Pdb2GT8

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:
    1.969         1.0000   0.0000   0.0000       a*
    1.969         0.0000   1.0000   0.0000       b*
    1.969         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   1.01 %   
              favored =  97.64 %   
Rotamer outliers      =   4.21 %   
C-beta deviations     =     3   
Clashscore            =   6.71   
RMS(bonds)            =   0.0192   
RMS(angles)           =   1.75   
MolProbity score      =   1.92   
Resolution            =   2.00   
R-work                =   0.1750   
R-free                =   0.2410   

Additional analysis:

Number of waters      =   162

<B> (all atoms) =   23.75 ( sd =    7.05 ) for       2494 non-hydrogen atoms
<B>   (protein) =   23.01 ( sd =    6.25 ) for       2332 non-hydrogen atoms
<B>     (water) =   34.38 ( sd =    8.80 ) for        162 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   10.69 /   54.11
B min/max   (protein non-hydrogen atoms) =   10.69 /   48.37
B min/max     (water non-hydrogen atoms) =   12.01 /   54.11
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.34 %   
              favored =  97.64 %   
Rotamer outliers      =   3.07 %   
C-beta deviations     =     1   
Clashscore            =   3.68   
RMS(bonds)            =   0.0118   
RMS(angles)           =   1.57   
MolProbity score      =   1.60   
Resolution            =   2.00   
R-work                =   0.1787   
R-free                =   0.2168   

Additional analysis:

Number of waters      =   199

<B> (all atoms) =   27.51 ( sd =    9.47 ) for       2531 non-hydrogen atoms
<B>   (protein) =   26.40 ( sd =    8.36 ) for       2332 non-hydrogen atoms
<B>     (water) =   40.47 ( sd =   11.68 ) for        199 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.22 /   73.38
B min/max   (protein non-hydrogen atoms) =   12.22 /   57.35
B min/max     (water non-hydrogen atoms) =   13.37 /   73.38
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: