Covid19Pdb3VB7

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 =  96.86 %   
Rotamer outliers      =   1.71 %   
C-beta deviations     =     3   
Clashscore            =   6.44   
RMS(bonds)            =   0.0074   
RMS(angles)           =   1.14   
MolProbity score      =   1.72   
Resolution            =   1.95   
R-work                =   0.1880   
R-free                =   0.2300   

Additional analysis:

Number of waters      =   282

<B> (all atoms) =   29.72 ( sd =   11.47 ) for       5061 non-hydrogen atoms
<B>   (protein) =   29.47 ( sd =   11.64 ) for       4743 non-hydrogen atoms
<B>     (water) =   33.39 ( sd =    7.87 ) for        282 non-hydrogen atoms
<B>    (others) =   34.23 ( sd =    5.46 ) for         36 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.51 /   88.54
B min/max   (protein non-hydrogen atoms) =   11.51 /   88.54
B min/max     (water non-hydrogen atoms) =   15.43 /   54.99
B min/max     (other non-hydrogen atoms) =   25.49 /   48.76

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.18 %   
Rotamer outliers      =   2.28 %   
C-beta deviations     =     1   
Clashscore            =   4.01   
RMS(bonds)            =   0.0117   
RMS(angles)           =   1.53   
MolProbity score      =   1.46   
Resolution            =   1.95   
R-work                =   0.1811   
R-free                =   0.2074   

Additional analysis:

Number of waters      =   412

<B> (all atoms) =   32.52 ( sd =   12.22 ) for       5191 non-hydrogen atoms
<B>   (protein) =   31.61 ( sd =   11.92 ) for       4743 non-hydrogen atoms
<B>     (water) =   42.00 ( sd =   11.50 ) for        412 non-hydrogen atoms
<B>    (others) =   43.21 ( sd =    7.89 ) for         36 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.51 /   89.14
B min/max   (protein non-hydrogen atoms) =   13.51 /   89.14
B min/max     (water non-hydrogen atoms) =   17.11 /   76.39
B min/max     (other non-hydrogen atoms) =   34.22 /   63.54

Refinement progression:

Results: