Covid19Pdb5RFT

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 =  97.68 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   4.22   
RMS(bonds)            =   0.0128   
RMS(angles)           =   1.81   
MolProbity score      =   1.41   
Resolution            =   1.58   
R-work                =   0.1950   
R-free                =   0.2370   

Additional analysis:

Number of waters      =   329

<B> (all atoms) =   24.95 ( sd =    8.59 ) for       2730 non-hydrogen atoms
<B>   (protein) =   23.55 ( sd =    7.46 ) for       2370 non-hydrogen atoms
<B>     (water) =   34.25 ( sd =    9.66 ) for        329 non-hydrogen atoms
<B>    (others) =   32.26 ( sd =   11.12 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.91 /   67.71
B min/max   (protein non-hydrogen atoms) =   13.91 /   65.90
B min/max     (water non-hydrogen atoms) =   15.03 /   67.71
B min/max     (other non-hydrogen atoms) =   24.36 /   46.47

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   1.69   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.54   
MolProbity score      =   1.06   
Resolution            =   1.58   
R-work                =   0.1786   
R-free                =   0.2177   

Additional analysis:

Number of waters      =   327

<B> (all atoms) =   27.09 ( sd =    8.28 ) for       2728 non-hydrogen atoms
<B>   (protein) =   25.51 ( sd =    6.58 ) for       2370 non-hydrogen atoms
<B>     (water) =   37.72 ( sd =   10.26 ) for        327 non-hydrogen atoms
<B>    (others) =   34.47 ( sd =   12.68 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.82 /   66.23
B min/max   (protein non-hydrogen atoms) =   13.82 /   58.89
B min/max     (water non-hydrogen atoms) =   15.86 /   66.23
B min/max     (other non-hydrogen atoms) =   27.95 /   51.97

Refinement progression:

Results: