Covid19Pdb5RFO

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 =  93.05 %   
Rotamer outliers      =   2.65 %   
C-beta deviations     =     0   
Clashscore            =   7.60   
RMS(bonds)            =   0.0137   
RMS(angles)           =   1.86   
MolProbity score      =   2.18   
Resolution            =   1.83   
R-work                =   0.2050   
R-free                =   0.2780   

Additional analysis:

Number of waters      =   330

<B> (all atoms) =   27.74 ( sd =    9.66 ) for       2729 non-hydrogen atoms
<B>   (protein) =   26.73 ( sd =    8.93 ) for       2370 non-hydrogen atoms
<B>     (water) =   34.20 ( sd =   10.52 ) for        330 non-hydrogen atoms
<B>    (others) =   37.61 ( sd =   22.17 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.26 /   85.75
B min/max   (protein non-hydrogen atoms) =   13.57 /   85.75
B min/max     (water non-hydrogen atoms) =   13.26 /   81.55
B min/max     (other non-hydrogen atoms) =   21.71 /   67.14

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.02 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     0   
Clashscore            =   3.17   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.58   
MolProbity score      =   1.32   
Resolution            =   1.83   
R-work                =   0.1785   
R-free                =   0.2443   

Additional analysis:

Number of waters      =   301

<B> (all atoms) =   29.78 ( sd =    8.40 ) for       2700 non-hydrogen atoms
<B>   (protein) =   28.71 ( sd =    7.13 ) for       2370 non-hydrogen atoms
<B>     (water) =   37.10 ( sd =   11.27 ) for        301 non-hydrogen atoms
<B>    (others) =   41.70 ( sd =   22.33 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    6.40 /  129.66
B min/max   (protein non-hydrogen atoms) =   17.78 /   61.33
B min/max     (water non-hydrogen atoms) =    6.40 /  129.66
B min/max     (other non-hydrogen atoms) =   26.09 /   61.37

Refinement progression:

Results: