Covid19Pdb6Y2F

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:
    1.942         0.9282   0.0000   0.3721       a* - 0.030 c*
    1.912         0.0000   1.0000   0.0000       b*
    1.873        -0.3721   0.0000   0.9282      -0.578 a* + 0.816 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  95.32 %   
Rotamer outliers      =   3.46 %   
C-beta deviations     =     1   
Clashscore            =   2.99   
RMS(bonds)            =   0.0146   
RMS(angles)           =   1.95   
MolProbity score      =   1.82   
Resolution            =   1.95
R-work                =   0.1779
R-free                =   0.2191

Additional analysis:

Number of waters      =   177

<B> (all atoms) =   39.73 ( sd =   15.43 ) for       2565 non-hydrogen atoms
<B>   (protein) =   39.00 ( sd =   15.46 ) for       2341 non-hydrogen atoms
<B>     (water) =   47.49 ( sd =   12.87 ) for        177 non-hydrogen atoms
<B>    (others) =   47.24 ( sd =   12.35 ) for         47 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   17.17 /  113.17
B min/max   (protein non-hydrogen atoms) =   17.17 /  113.17
B min/max     (water non-hydrogen atoms) =   19.59 /   92.40
B min/max     (other non-hydrogen atoms) =   30.60 /   81.63

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.33 %   
Rotamer outliers      =   3.08 %   
C-beta deviations     =     0   
Clashscore            =   1.71   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.53   
MolProbity score      =   1.30   
Resolution            =   1.95   
R-work                =   0.1735   
R-free                =   0.1959   

Additional analysis:

Number of waters      =   211

<B> (all atoms) =   43.62 ( sd =   14.23 ) for       2599 non-hydrogen atoms
<B>   (protein) =   42.46 ( sd =   13.77 ) for       2341 non-hydrogen atoms
<B>     (water) =   55.44 ( sd =   14.65 ) for        211 non-hydrogen atoms
<B>    (others) =   48.47 ( sd =    9.07 ) for         47 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   20.02 /   92.64
B min/max   (protein non-hydrogen atoms) =   20.02 /   92.64
B min/max     (water non-hydrogen atoms) =   22.96 /   86.87
B min/max     (other non-hydrogen atoms) =   38.19 /   74.33

Refinement progression:

Results: