Covid19Pdb6L8Q

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:
    3.710         0.9904   0.0000  -0.1385       0.850 a* - 0.527 c*
    2.933         0.0000   1.0000   0.0000       b*
    3.035         0.1385   0.0000   0.9904       0.171 a* + 0.985 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.03 %   
              favored =  94.96 %   
Rotamer outliers      =   0.39 %   
C-beta deviations     =     1   
Clashscore            =   6.94   
RMS(bonds)            =   0.0039   
RMS(angles)           =   0.65   
MolProbity score      =   1.73   
Resolution            =   3.10   
R-work                =   0.2000   
R-free                =   0.2410   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =   63.05 ( sd =   20.50 ) for      30730 non-hydrogen atoms
<B>   (protein) =   62.49 ( sd =   20.11 ) for      30056 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =   87.98 ( sd =   22.46 ) for        674 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   23.98 /  224.86
B min/max   (protein non-hydrogen atoms) =   23.98 /  224.86
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =   35.75 /  146.31

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.57 %   
              favored =  93.91 %   
Rotamer outliers      =   8.33 %   
C-beta deviations     =     6   
Clashscore            =   5.21   
RMS(bonds)            =   0.0124   
RMS(angles)           =   1.66   
MolProbity score      =   2.38   
Resolution            =   3.10   
R-work                =   0.1864   
R-free                =   0.2125   

Additional analysis:

Number of waters      =   274

<B> (all atoms) =   70.36 ( sd =   14.69 ) for      31004 non-hydrogen atoms
<B>   (protein) =   70.16 ( sd =   14.36 ) for      30056 non-hydrogen atoms
<B>     (water) =   50.13 ( sd =   11.75 ) for        274 non-hydrogen atoms
<B>    (others) =   87.41 ( sd =   14.64 ) for        674 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   17.42 /  138.62
B min/max   (protein non-hydrogen atoms) =   45.09 /  138.62
B min/max     (water non-hydrogen atoms) =   17.42 /  104.53
B min/max     (other non-hydrogen atoms) =   50.26 /  117.07

Refinement progression:

Results: