Covid19Pdb5RFX

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      =   1.11 %   
C-beta deviations     =     0   
Clashscore            =   4.56   
RMS(bonds)            =   0.0128   
RMS(angles)           =   1.78   
MolProbity score      =   1.27   
Resolution            =   1.55   
R-work                =   0.1840   
R-free                =   0.2160   

Additional analysis:

Number of waters      =   341

<B> (all atoms) =   20.87 ( sd =    8.07 ) for       2786 non-hydrogen atoms
<B>   (protein) =   19.59 ( sd =    7.32 ) for       2416 non-hydrogen atoms
<B>     (water) =   29.93 ( sd =    8.67 ) for        341 non-hydrogen atoms
<B>    (others) =   26.96 ( sd =    8.78 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.88 /  129.13
B min/max   (protein non-hydrogen atoms) =   10.31 /   57.79
B min/max     (water non-hydrogen atoms) =    9.88 /  129.13
B min/max     (other non-hydrogen atoms) =   19.56 /   35.35

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            =   3.94   
RMS(bonds)            =   0.0111   
RMS(angles)           =   1.56   
MolProbity score      =   1.18   
Resolution            =   1.55   
R-work                =   0.1794   
R-free                =   0.2135   

Additional analysis:

Number of waters      =   368

<B> (all atoms) =   22.20 ( sd =    8.44 ) for       2813 non-hydrogen atoms
<B>   (protein) =   20.54 ( sd =    6.77 ) for       2416 non-hydrogen atoms
<B>     (water) =   32.93 ( sd =   10.64 ) for        368 non-hydrogen atoms
<B>    (others) =   27.22 ( sd =    9.56 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.19 /   81.81
B min/max   (protein non-hydrogen atoms) =    9.19 /   59.24
B min/max     (water non-hydrogen atoms) =    9.57 /   81.81
B min/max     (other non-hydrogen atoms) =   16.52 /   33.59

Refinement progression:

Results: