Covid19Pdb5RFM

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 =  97.35 %   
Rotamer outliers      =   3.41 %   
C-beta deviations     =     0   
Clashscore            =   4.65   
RMS(bonds)            =   0.0138   
RMS(angles)           =   1.89   
MolProbity score      =   1.77   
Resolution            =   2.06   
R-work                =   0.1780   
R-free                =   0.2570   

Additional analysis:

Number of waters      =   331

<B> (all atoms) =   30.14 ( sd =   11.31 ) for       2731 non-hydrogen atoms
<B>   (protein) =   29.09 ( sd =   10.99 ) for       2370 non-hydrogen atoms
<B>     (water) =   36.70 ( sd =   10.48 ) for        331 non-hydrogen atoms
<B>    (others) =   43.41 ( sd =   21.39 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.18 /   99.67
B min/max   (protein non-hydrogen atoms) =   14.18 /   92.81
B min/max     (water non-hydrogen atoms) =   14.99 /   99.67
B min/max     (other non-hydrogen atoms) =   30.55 /   73.72

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   2.65 %   
C-beta deviations     =     0   
Clashscore            =   2.32   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.57   
MolProbity score      =   1.33   
Resolution            =   2.06   
R-work                =   0.1731   
R-free                =   0.2330   

Additional analysis:

Number of waters      =   301

<B> (all atoms) =   30.30 ( sd =    9.79 ) for       2701 non-hydrogen atoms
<B>   (protein) =   29.09 ( sd =    8.71 ) for       2370 non-hydrogen atoms
<B>     (water) =   38.90 ( sd =   12.08 ) for        301 non-hydrogen atoms
<B>    (others) =   41.84 ( sd =   20.00 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.86 /  153.82
B min/max   (protein non-hydrogen atoms) =   15.86 /   66.97
B min/max     (water non-hydrogen atoms) =   15.96 /  153.82
B min/max     (other non-hydrogen atoms) =   31.61 /   65.17

Refinement progression:

Results: