Covid19Pdb3SCK

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:
    2.944         0.7491   0.0000  -0.6624       0.614 a* - 0.789 c*
    3.062         0.0000   1.0000   0.0000       b*
    3.437         0.6624   0.0000   0.7491       0.549 a* + 0.836 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   7.13 %   
              favored =  74.61 %   
Rotamer outliers      =   8.64 %   
C-beta deviations     =     0   
Clashscore            =  31.58   
RMS(bonds)            =   0.0110   
RMS(angles)           =   1.35   
MolProbity score      =   3.49   
Resolution            =   3.00   
R-work                =   0.2390   
R-free                =   0.2850   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =  105.24 ( sd =   23.10 ) for      12518 non-hydrogen atoms
<B>   (protein) =  105.23 ( sd =   23.10 ) for      12514 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =  112.10 ( sd =   15.89 ) for          4 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   51.13 /  162.40
B min/max   (protein non-hydrogen atoms) =   51.13 /  162.40
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =   98.60 /  138.88

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   1.64 %   
              favored =  92.21 %   
Rotamer outliers      =  12.70 %   
C-beta deviations     =     1   
Clashscore            =   8.47   
RMS(bonds)            =   0.0118   
RMS(angles)           =   1.59   
MolProbity score      =   2.78   
Resolution            =   2.99   
R-work                =   0.2184   
R-free                =   0.2575   

Additional analysis:

Number of waters      =    78

<B> (all atoms) =  125.04 ( sd =   32.18 ) for      12596 non-hydrogen atoms
<B>   (protein) =  125.34 ( sd =   32.04 ) for      12514 non-hydrogen atoms
<B>     (water) =   78.79 ( sd =   18.61 ) for         78 non-hydrogen atoms
<B>    (others) =  102.77 ( sd =   11.13 ) for          4 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   51.00 /  242.75
B min/max   (protein non-hydrogen atoms) =   72.95 /  242.75
B min/max     (water non-hydrogen atoms) =   51.00 /  162.33
B min/max     (other non-hydrogen atoms) =   91.95 /  120.68

Refinement progression:

Results: