Covid19Pdb3V3M

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.66 %   
              favored =  97.36 %   
Rotamer outliers      =   4.40 %   
C-beta deviations     =     1   
Clashscore            =   5.12   
RMS(bonds)            =   0.0104   
RMS(angles)           =   1.27   
MolProbity score      =   1.88   
Resolution            =   1.96   
R-work                =   0.1890   
R-free                =   0.2360   

Additional analysis:

Number of waters      =   320

<B> (all atoms) =   45.91 ( sd =   14.96 ) for       2772 non-hydrogen atoms
<B>   (protein) =   44.87 ( sd =   15.15 ) for       2412 non-hydrogen atoms
<B>     (water) =   52.99 ( sd =   11.13 ) for        320 non-hydrogen atoms
<B>    (others) =   50.66 ( sd =   12.70 ) for         40 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   22.50 /  154.06
B min/max   (protein non-hydrogen atoms) =   24.81 /  154.06
B min/max     (water non-hydrogen atoms) =   22.50 /   84.76
B min/max     (other non-hydrogen atoms) =   31.84 /   83.89

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.66 %   
              favored =  97.69 %   
Rotamer outliers      =   4.40 %   
C-beta deviations     =     0   
Clashscore            =   3.07   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.57   
MolProbity score      =   1.65   
Resolution            =   1.96   
R-work                =   0.1921   
R-free                =   0.2216   

Additional analysis:

Number of waters      =   301

<B> (all atoms) =   46.88 ( sd =   12.99 ) for       2753 non-hydrogen atoms
<B>   (protein) =   45.09 ( sd =   11.69 ) for       2412 non-hydrogen atoms
<B>     (water) =   60.06 ( sd =   14.03 ) for        301 non-hydrogen atoms
<B>    (others) =   53.93 ( sd =   15.85 ) for         40 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   24.09 /  104.48
B min/max   (protein non-hydrogen atoms) =   25.88 /   91.52
B min/max     (water non-hydrogen atoms) =   24.09 /  104.48
B min/max     (other non-hydrogen atoms) =   39.02 /   95.14

Refinement progression:

Results: