Covid19Pdb5R7Z

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:
    1.523         0.7844   0.0000   0.6202       0.864 a* - 0.504 c*
    1.612         0.0000   1.0000   0.0000       b*
    1.915        -0.6202   0.0000   0.7844      -0.638 a* + 0.770 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.02 %   
Rotamer outliers      =   1.51 %   
C-beta deviations     =     0   
Clashscore            =   6.09   
RMS(bonds)            =   0.0129   
RMS(angles)           =   1.80   
MolProbity score      =   1.64   
Resolution            =   1.59   
R-work                =   0.2450   
R-free                =   0.2770   

Additional analysis:

Number of waters      =    93

<B> (all atoms) =   34.50 ( sd =   11.26 ) for       2502 non-hydrogen atoms
<B>   (protein) =   33.23 ( sd =    8.33 ) for       2376 non-hydrogen atoms
<B>     (water) =   52.08 ( sd =   15.76 ) for         93 non-hydrogen atoms
<B>    (others) =   82.87 ( sd =   42.57 ) for         33 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   21.57 /  160.33
B min/max   (protein non-hydrogen atoms) =   21.57 /   74.49
B min/max     (water non-hydrogen atoms) =   29.55 /   91.33
B min/max     (other non-hydrogen atoms) =   49.04 /  160.33

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   1.15 %   
C-beta deviations     =     0   
Clashscore            =   5.11   
RMS(bonds)            =   0.0119   
RMS(angles)           =   1.58   
MolProbity score      =   1.32   
Resolution            =   1.59   
R-work                =   0.1995   
R-free                =   0.2349   

Additional analysis:

Number of waters      =   175

<B> (all atoms) =   34.82 ( sd =    8.80 ) for       2555 non-hydrogen atoms
<B>   (protein) =   33.81 ( sd =    7.22 ) for       2347 non-hydrogen atoms
<B>     (water) =   42.90 ( sd =   10.72 ) for        175 non-hydrogen atoms
<B>    (others) =   63.86 ( sd =   20.34 ) for         33 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   22.87 /  111.78
B min/max   (protein non-hydrogen atoms) =   22.87 /   69.54
B min/max     (water non-hydrogen atoms) =   23.67 /  105.65
B min/max     (other non-hydrogen atoms) =   41.72 /  111.78

Refinement progression:

Results: