Covid19Pdb5RFU

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      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   6.11   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.86   
MolProbity score      =   1.46   
Resolution            =   1.53   
R-work                =   0.1750   
R-free                =   0.2100   

Additional analysis:

Number of waters      =   339

<B> (all atoms) =   21.20 ( sd =    9.56 ) for       2743 non-hydrogen atoms
<B>   (protein) =   19.55 ( sd =    8.17 ) for       2370 non-hydrogen atoms
<B>     (water) =   32.02 ( sd =   11.32 ) for        339 non-hydrogen atoms
<B>    (others) =   27.98 ( sd =    7.84 ) for         34 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.99 /  131.81
B min/max   (protein non-hydrogen atoms) =    9.99 /   68.35
B min/max     (water non-hydrogen atoms) =   11.52 /  131.81
B min/max     (other non-hydrogen atoms) =   17.51 /   45.33

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            =   2.11   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.56   
MolProbity score      =   1.12   
Resolution            =   1.53   
R-work                =   0.1745   
R-free                =   0.2058   

Additional analysis:

Number of waters      =   344

<B> (all atoms) =   22.43 ( sd =    8.77 ) for       2748 non-hydrogen atoms
<B>   (protein) =   20.60 ( sd =    7.02 ) for       2370 non-hydrogen atoms
<B>     (water) =   34.36 ( sd =   10.11 ) for        344 non-hydrogen atoms
<B>    (others) =   28.60 ( sd =    7.89 ) for         34 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.24 /   71.98
B min/max   (protein non-hydrogen atoms) =   11.62 /   63.96
B min/max     (water non-hydrogen atoms) =   11.24 /   71.98
B min/max     (other non-hydrogen atoms) =   20.62 /   36.25

Refinement progression:

Results: