Covid19Pdb5RE9

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 =  97.68 %   
Rotamer outliers      =   3.57 %   
C-beta deviations     =     1   
Clashscore            =   8.55   
RMS(bonds)            =   0.0131   
RMS(angles)           =   1.82   
MolProbity score      =   1.95   
Resolution            =   1.72   
R-work                =   0.1670   
R-free                =   0.2250   

Additional analysis:

Number of waters      =   377

<B> (all atoms) =   32.04 ( sd =   11.16 ) for       2911 non-hydrogen atoms
<B>   (protein) =   29.57 ( sd =    8.75 ) for       2496 non-hydrogen atoms
<B>     (water) =   45.57 ( sd =   11.74 ) for        377 non-hydrogen atoms
<B>    (others) =   45.54 ( sd =   18.46 ) for         38 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   17.14 /   86.68
B min/max   (protein non-hydrogen atoms) =   17.14 /   86.68
B min/max     (water non-hydrogen atoms) =   20.55 /   82.96
B min/max     (other non-hydrogen atoms) =   33.26 /   78.15

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   0.71 %   
C-beta deviations     =     0   
Clashscore            =   6.56   
RMS(bonds)            =   0.0121   
RMS(angles)           =   1.60   
MolProbity score      =   1.36   
Resolution            =   1.72   
R-work                =   0.1951   
R-free                =   0.2311   

Additional analysis:

Number of waters      =   270

<B> (all atoms) =   31.50 ( sd =    9.99 ) for       2804 non-hydrogen atoms
<B>   (protein) =   29.62 ( sd =    7.85 ) for       2496 non-hydrogen atoms
<B>     (water) =   45.60 ( sd =   11.56 ) for        270 non-hydrogen atoms
<B>    (others) =   43.69 ( sd =   18.08 ) for         38 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.67 /   92.86
B min/max   (protein non-hydrogen atoms) =   12.67 /   63.17
B min/max     (water non-hydrogen atoms) =   22.32 /   92.86
B min/max     (other non-hydrogen atoms) =   33.19 /   67.11

Refinement progression:

Results: