Covid19Pdb5RFN

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      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   4.86   
RMS(bonds)            =   0.0129   
RMS(angles)           =   1.78   
MolProbity score      =   1.32   
Resolution            =   1.80   
R-work                =   0.1860   
R-free                =   0.2390   

Additional analysis:

Number of waters      =   336

<B> (all atoms) =   26.93 ( sd =    9.55 ) for       2736 non-hydrogen atoms
<B>   (protein) =   25.65 ( sd =    8.89 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.39 ( sd =   10.13 ) for        336 non-hydrogen atoms
<B>    (others) =   38.01 ( sd =    9.81 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.94 /   72.06
B min/max   (protein non-hydrogen atoms) =   13.94 /   72.00
B min/max     (water non-hydrogen atoms) =   14.21 /   72.06
B min/max     (other non-hydrogen atoms) =   27.81 /   49.46

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   1.90   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.57   
MolProbity score      =   0.95   
Resolution            =   1.80   
R-work                =   0.1850   
R-free                =   0.2272   

Additional analysis:

Number of waters      =   306

<B> (all atoms) =   27.40 ( sd =    8.67 ) for       2706 non-hydrogen atoms
<B>   (protein) =   26.05 ( sd =    7.58 ) for       2370 non-hydrogen atoms
<B>     (water) =   37.08 ( sd =   10.00 ) for        306 non-hydrogen atoms
<B>    (others) =   38.81 ( sd =   13.15 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    6.00 /   70.68
B min/max   (protein non-hydrogen atoms) =   14.93 /   59.50
B min/max     (water non-hydrogen atoms) =    6.00 /   70.68
B min/max     (other non-hydrogen atoms) =   27.49 /   59.43

Refinement progression:

Results: