Covid19Pdb5RFI

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 =  98.01 %   
Rotamer outliers      =   0.74 %   
C-beta deviations     =     0   
Clashscore            =   4.76   
RMS(bonds)            =   0.0126   
RMS(angles)           =   1.76   
MolProbity score      =   1.25   
Resolution            =   1.69   
R-work                =   0.1930   
R-free                =   0.2420   

Additional analysis:

Number of waters      =   341

<B> (all atoms) =   27.66 ( sd =    9.27 ) for       2789 non-hydrogen atoms
<B>   (protein) =   26.41 ( sd =    8.64 ) for       2416 non-hydrogen atoms
<B>     (water) =   35.96 ( sd =    9.62 ) for        341 non-hydrogen atoms
<B>    (others) =   34.76 ( sd =   11.02 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.26 /   76.75
B min/max   (protein non-hydrogen atoms) =   15.78 /   74.55
B min/max     (water non-hydrogen atoms) =   15.26 /   76.75
B min/max     (other non-hydrogen atoms) =   25.60 /   50.37

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   0.74 %   
C-beta deviations     =     0   
Clashscore            =   3.73   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.60   
MolProbity score      =   1.16   
Resolution            =   1.69   
R-work                =   0.1835   
R-free                =   0.2207   

Additional analysis:

Number of waters      =   320

<B> (all atoms) =   27.76 ( sd =    8.58 ) for       2768 non-hydrogen atoms
<B>   (protein) =   26.38 ( sd =    7.50 ) for       2416 non-hydrogen atoms
<B>     (water) =   37.42 ( sd =    9.70 ) for        320 non-hydrogen atoms
<B>    (others) =   34.29 ( sd =   10.77 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.54 /   71.48
B min/max   (protein non-hydrogen atoms) =   16.24 /   70.30
B min/max     (water non-hydrogen atoms) =   15.54 /   71.48
B min/max     (other non-hydrogen atoms) =   24.31 /   47.63

Refinement progression:

Results: