Covid19Pdb5RG0

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 =  96.03 %   
Rotamer outliers      =   1.48 %   
C-beta deviations     =     0   
Clashscore            =   5.38   
RMS(bonds)            =   0.0128   
RMS(angles)           =   1.84   
MolProbity score      =   1.69   
Resolution            =   1.72   
R-work                =   0.1880   
R-free                =   0.2360   

Additional analysis:

Number of waters      =   351

<B> (all atoms) =   27.55 ( sd =    9.83 ) for       2795 non-hydrogen atoms
<B>   (protein) =   26.35 ( sd =    9.30 ) for       2416 non-hydrogen atoms
<B>     (water) =   35.42 ( sd =   10.54 ) for        351 non-hydrogen atoms
<B>    (others) =   37.31 ( sd =    9.36 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.82 /   73.74
B min/max   (protein non-hydrogen atoms) =   14.82 /   73.74
B min/max     (water non-hydrogen atoms) =   15.07 /   71.29
B min/max     (other non-hydrogen atoms) =   26.77 /   49.07

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.01 %   
Rotamer outliers      =   0.74 %   
C-beta deviations     =     0   
Clashscore            =   2.48   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.57   
MolProbity score      =   1.03   
Resolution            =   1.72   
R-work                =   0.1789   
R-free                =   0.2287   

Additional analysis:

Number of waters      =   346

<B> (all atoms) =   29.44 ( sd =    8.88 ) for       2790 non-hydrogen atoms
<B>   (protein) =   28.04 ( sd =    7.77 ) for       2416 non-hydrogen atoms
<B>     (water) =   38.80 ( sd =   10.79 ) for        346 non-hydrogen atoms
<B>    (others) =   38.03 ( sd =   11.38 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    6.53 /   67.74
B min/max   (protein non-hydrogen atoms) =   17.29 /   67.45
B min/max     (water non-hydrogen atoms) =    6.53 /   67.74
B min/max     (other non-hydrogen atoms) =   26.71 /   52.78

Refinement progression:

Results: