Covid19Pdb5RFR

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 =  99.01 %   
Rotamer outliers      =   1.89 %   
C-beta deviations     =     0   
Clashscore            =   5.91   
RMS(bonds)            =   0.0133   
RMS(angles)           =   1.84   
MolProbity score      =   1.53   
Resolution            =   1.71   
R-work                =   0.1850   
R-free                =   0.2380   

Additional analysis:

Number of waters      =   333

<B> (all atoms) =   27.53 ( sd =   10.51 ) for       2731 non-hydrogen atoms
<B>   (protein) =   26.15 ( sd =    9.80 ) for       2370 non-hydrogen atoms
<B>     (water) =   36.53 ( sd =   10.65 ) for        333 non-hydrogen atoms
<B>    (others) =   38.23 ( sd =   14.16 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.47 /   96.16
B min/max   (protein non-hydrogen atoms) =   14.47 /   83.85
B min/max     (water non-hydrogen atoms) =   16.95 /   96.16
B min/max     (other non-hydrogen atoms) =   25.04 /   61.97

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   2.75   
RMS(bonds)            =   0.0115   
RMS(angles)           =   1.57   
MolProbity score      =   1.06   
Resolution            =   1.71   
R-work                =   0.1859   
R-free                =   0.2249   

Additional analysis:

Number of waters      =   322

<B> (all atoms) =   26.97 ( sd =    9.30 ) for       2720 non-hydrogen atoms
<B>   (protein) =   25.44 ( sd =    8.07 ) for       2370 non-hydrogen atoms
<B>     (water) =   37.39 ( sd =   10.38 ) for        322 non-hydrogen atoms
<B>    (others) =   37.92 ( sd =   15.03 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.05 /   69.95
B min/max   (protein non-hydrogen atoms) =   11.05 /   69.95
B min/max     (water non-hydrogen atoms) =   12.60 /   68.27
B min/max     (other non-hydrogen atoms) =   22.90 /   52.60

Refinement progression:

Results: