Covid19Pdb3SNE

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 =  96.08 %   
Rotamer outliers      =   8.21 %   
C-beta deviations     =     0   
Clashscore            =   9.14   
RMS(bonds)            =   0.0187   
RMS(angles)           =   1.90   
MolProbity score      =   2.45   
Resolution            =   2.60   
R-work                =   0.1880   
R-free                =   0.2410   

Additional analysis:

Number of waters      =    79

<B> (all atoms) =   38.53 ( sd =   10.16 ) for       2509 non-hydrogen atoms
<B>   (protein) =   38.45 ( sd =   10.12 ) for       2406 non-hydrogen atoms
<B>     (water) =   36.43 ( sd =    9.16 ) for         79 non-hydrogen atoms
<B>    (others) =   55.68 ( sd =   14.84 ) for         24 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.19 /   77.33
B min/max   (protein non-hydrogen atoms) =   13.32 /   77.31
B min/max     (water non-hydrogen atoms) =   12.19 /   60.27
B min/max     (other non-hydrogen atoms) =   41.78 /   77.33

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  96.73 %   
Rotamer outliers      =   6.34 %   
C-beta deviations     =     2   
Clashscore            =   3.32   
RMS(bonds)            =   0.0121   
RMS(angles)           =   1.66   
MolProbity score      =   1.94   
Resolution            =   2.60   
R-work                =   0.1655   
R-free                =   0.2147   

Additional analysis:

Number of waters      =   154

<B> (all atoms) =   46.46 ( sd =   11.15 ) for       2584 non-hydrogen atoms
<B>   (protein) =   46.09 ( sd =   11.13 ) for       2406 non-hydrogen atoms
<B>     (water) =   49.68 ( sd =    9.68 ) for        154 non-hydrogen atoms
<B>    (others) =   65.85 ( sd =   15.32 ) for         24 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   24.22 /   95.31
B min/max   (protein non-hydrogen atoms) =   24.22 /   95.31
B min/max     (water non-hydrogen atoms) =   29.34 /   89.85
B min/max     (other non-hydrogen atoms) =   61.55 /   79.99

Refinement progression:

Results: