Covid19Pdb5REF

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 =  96.69 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     0   
Clashscore            =   6.53   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.77   
MolProbity score      =   1.61   
Resolution            =   1.61   
R-work                =   0.1980   
R-free                =   0.2460   

Additional analysis:

Number of waters      =   331

<B> (all atoms) =   27.64 ( sd =    9.89 ) for       2728 non-hydrogen atoms
<B>   (protein) =   26.07 ( sd =    8.78 ) for       2370 non-hydrogen atoms
<B>     (water) =   38.34 ( sd =   10.29 ) for        331 non-hydrogen atoms
<B>    (others) =   33.64 ( sd =   14.79 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.02 /   87.61
B min/max   (protein non-hydrogen atoms) =   14.02 /   85.15
B min/max     (water non-hydrogen atoms) =   14.84 /   87.61
B min/max     (other non-hydrogen atoms) =   24.41 /   49.87

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.35 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   5.48   
RMS(bonds)            =   0.0115   
RMS(angles)           =   1.55   
MolProbity score      =   1.42   
Resolution            =   1.61   
R-work                =   0.1855   
R-free                =   0.2298   

Additional analysis:

Number of waters      =   298

<B> (all atoms) =   28.08 ( sd =    8.52 ) for       2695 non-hydrogen atoms
<B>   (protein) =   26.61 ( sd =    7.12 ) for       2370 non-hydrogen atoms
<B>     (water) =   39.07 ( sd =    9.58 ) for        298 non-hydrogen atoms
<B>    (others) =   36.66 ( sd =   17.22 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.16 /   69.81
B min/max   (protein non-hydrogen atoms) =   16.16 /   58.02
B min/max     (water non-hydrogen atoms) =   17.94 /   69.81
B min/max     (other non-hydrogen atoms) =   25.22 /   57.77

Refinement progression:

Results: