Covid19Pdb6W63

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.69 %   
Rotamer outliers      =   4.96 %   
C-beta deviations     =     0   
Clashscore            =   4.04   
RMS(bonds)            =   0.0109   
RMS(angles)           =   1.39   
MolProbity score      =   1.79   
Resolution            =   2.10   
R-work                =   0.1500   
R-free                =   0.2210   

Additional analysis:

Number of waters      =   281

<B> (all atoms) =   30.78 ( sd =   14.02 ) for       2673 non-hydrogen atoms
<B>   (protein) =   29.92 ( sd =   14.32 ) for       2358 non-hydrogen atoms
<B>     (water) =   38.48 ( sd =    8.97 ) for        281 non-hydrogen atoms
<B>    (others) =   27.39 ( sd =    4.32 ) for         34 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   10.07 /  132.58
B min/max   (protein non-hydrogen atoms) =   10.07 /  132.58
B min/max     (water non-hydrogen atoms) =   13.03 /   58.16
B min/max     (other non-hydrogen atoms) =   20.17 /   36.31

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.02 %   
Rotamer outliers      =   3.05 %   
C-beta deviations     =     0   
Clashscore            =   1.06   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.57   
MolProbity score      =   1.18   
Resolution            =   2.10   
R-work                =   0.1821   
R-free                =   0.2146   

Additional analysis:

Number of waters      =   280

<B> (all atoms) =   28.47 ( sd =    9.84 ) for       2672 non-hydrogen atoms
<B>   (protein) =   27.05 ( sd =    8.66 ) for       2358 non-hydrogen atoms
<B>     (water) =   40.97 ( sd =   11.05 ) for        280 non-hydrogen atoms
<B>    (others) =   25.19 ( sd =    1.43 ) for         34 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.69 /   70.96
B min/max   (protein non-hydrogen atoms) =   13.81 /   69.72
B min/max     (water non-hydrogen atoms) =   12.69 /   70.96
B min/max     (other non-hydrogen atoms) =   22.86 /   27.86

Refinement progression:

Results: