Covid19Pdb3IWM

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   9.02 %   
              favored =  77.05 %   
Rotamer outliers      =  22.94 %   
C-beta deviations     =     9   
Clashscore            =  48.17   
RMS(bonds)            =   0.0102   
RMS(angles)           =   1.53   
MolProbity score      =   3.97   
Resolution            =   3.20   
R-work                =   0.2200   
R-free                =   0.2720   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =   86.62 ( sd =   19.08 ) for       9512 non-hydrogen atoms
<B>   (protein) =   86.28 ( sd =   18.85 ) for       9396 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =  113.77 ( sd =   18.47 ) for        116 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   50.64 /  161.56
B min/max   (protein non-hydrogen atoms) =   50.64 /  161.56
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =   77.02 /  152.60

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   1.67 %   
              favored =  93.57 %   
Rotamer outliers      =  11.04 %   
C-beta deviations     =     5   
Clashscore            =   6.69   
RMS(bonds)            =   0.0126   
RMS(angles)           =   1.63   
MolProbity score      =   2.58   
Resolution            =   2.99   
R-work                =   0.2095   
R-free                =   0.2253   

Additional analysis:

Number of waters      =    61

<B> (all atoms) =  108.59 ( sd =   23.68 ) for       9573 non-hydrogen atoms
<B>   (protein) =  108.56 ( sd =   23.55 ) for       9396 non-hydrogen atoms
<B>     (water) =   88.07 ( sd =   31.70 ) for         61 non-hydrogen atoms
<B>    (others) =  121.89 ( sd =   20.62 ) for        116 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   57.09 /  300.00
B min/max   (protein non-hydrogen atoms) =   73.92 /  232.71
B min/max     (water non-hydrogen atoms) =   57.09 /  300.00
B min/max     (other non-hydrogen atoms) =   93.87 /  157.72

Refinement progression:

Results: