Covid19Pdb6LXT

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:
    2.801         0.9957   0.0000  -0.0927       0.965 a* - 0.263 c*
    2.799         0.0000   1.0000   0.0000       b*
    2.850         0.0927   0.0000   0.9957       0.041 a* + 0.999 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.15 %   
              favored =  97.89 %   
Rotamer outliers      =   6.64 %   
C-beta deviations     =     1   
Clashscore            =   8.43   
RMS(bonds)            =   0.0139   
RMS(angles)           =   1.77   
MolProbity score      =   2.11   
Resolution            =   2.90   
R-work                =   0.2590   
R-free                =   0.2900   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =   87.99 ( sd =   24.98 ) for       5237 non-hydrogen atoms
<B>   (protein) =   88.05 ( sd =   24.92 ) for       5205 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =   78.14 ( sd =   31.02 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   34.85 /  176.69
B min/max   (protein non-hydrogen atoms) =   34.85 /  176.69
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =   41.58 /  150.26

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.15 %   
              favored =  99.09 %   
Rotamer outliers      =   7.48 %   
C-beta deviations     =     1   
Clashscore            =   5.49   
RMS(bonds)            =   0.0124   
RMS(angles)           =   1.33   
MolProbity score      =   1.96   
Resolution            =   2.90   
R-work                =   0.2590   
R-free                =   0.3159   

Additional analysis:

Number of waters      =    56

<B> (all atoms) =   96.08 ( sd =   24.91 ) for       5293 non-hydrogen atoms
<B>   (protein) =   96.46 ( sd =   24.72 ) for       5205 non-hydrogen atoms
<B>     (water) =   65.36 ( sd =   10.19 ) for         56 non-hydrogen atoms
<B>    (others) =   87.86 ( sd =   36.06 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   39.66 /  182.03
B min/max   (protein non-hydrogen atoms) =   49.37 /  173.29
B min/max     (water non-hydrogen atoms) =   39.66 /   88.71
B min/max     (other non-hydrogen atoms) =   59.78 /  182.03

Refinement progression:

Results: