Covid19Pdb3VB6

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.99 %   
              favored =  93.22 %   
Rotamer outliers      =   2.85 %   
C-beta deviations     =     0   
Clashscore            =  10.17   
RMS(bonds)            =   0.0078   
RMS(angles)           =   1.15   
MolProbity score      =   2.31   
Resolution            =   2.50   
R-work                =   0.1880   
R-free                =   0.2450   

Additional analysis:

Number of waters      =   134

<B> (all atoms) =   36.44 ( sd =   12.00 ) for       4899 non-hydrogen atoms
<B>   (protein) =   36.46 ( sd =   12.11 ) for       4743 non-hydrogen atoms
<B>     (water) =   34.96 ( sd =    7.50 ) for        134 non-hydrogen atoms
<B>    (others) =   42.74 ( sd =    6.67 ) for         22 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.48 /   89.08
B min/max   (protein non-hydrogen atoms) =   15.48 /   89.08
B min/max     (water non-hydrogen atoms) =   17.70 /   55.17
B min/max     (other non-hydrogen atoms) =   30.61 /   56.06

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  96.69 %   
Rotamer outliers      =   3.61 %   
C-beta deviations     =     0   
Clashscore            =   4.24   
RMS(bonds)            =   0.0115   
RMS(angles)           =   1.58   
MolProbity score      =   1.84   
Resolution            =   2.50   
R-work                =   0.1909   
R-free                =   0.2246   

Additional analysis:

Number of waters      =   222

<B> (all atoms) =   40.59 ( sd =   13.60 ) for       4987 non-hydrogen atoms
<B>   (protein) =   40.49 ( sd =   13.70 ) for       4743 non-hydrogen atoms
<B>     (water) =   41.05 ( sd =   10.53 ) for        222 non-hydrogen atoms
<B>    (others) =   57.29 ( sd =    8.24 ) for         22 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   17.30 /  109.12
B min/max   (protein non-hydrogen atoms) =   17.30 /  109.12
B min/max     (water non-hydrogen atoms) =   18.20 /   71.52
B min/max     (other non-hydrogen atoms) =   46.91 /   67.85

Refinement progression:

Results: