Covid19Pdb5N5O

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  96.38 %   
Rotamer outliers      =   5.30 %   
C-beta deviations     =     3   
Clashscore            =   0.63   
RMS(bonds)            =   0.0199   
RMS(angles)           =   1.91   
MolProbity score      =   1.50   
Resolution            =   2.00   
R-work                =   0.1920   
R-free                =   0.2520   

Additional analysis:

Number of waters      =   214

<B> (all atoms) =   45.45 ( sd =   12.82 ) for       2630 non-hydrogen atoms
<B>   (protein) =   44.71 ( sd =   12.73 ) for       2377 non-hydrogen atoms
<B>     (water) =   52.36 ( sd =    9.28 ) for        214 non-hydrogen atoms
<B>    (others) =   52.11 ( sd =   19.85 ) for         39 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   24.37 /  114.82
B min/max   (protein non-hydrogen atoms) =   24.37 /  114.82
B min/max     (water non-hydrogen atoms) =   31.14 /   72.87
B min/max     (other non-hydrogen atoms) =   35.55 /   97.43

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.37 %   
Rotamer outliers      =   4.17 %   
C-beta deviations     =     1   
Clashscore            =   1.48   
RMS(bonds)            =   0.0111   
RMS(angles)           =   1.58   
MolProbity score      =   1.48   
Resolution            =   2.00   
R-work                =   0.1847   
R-free                =   0.2244   

Additional analysis:

Number of waters      =   267

<B> (all atoms) =   44.31 ( sd =   12.23 ) for       2683 non-hydrogen atoms
<B>   (protein) =   42.91 ( sd =   11.30 ) for       2377 non-hydrogen atoms
<B>     (water) =   56.98 ( sd =   13.51 ) for        267 non-hydrogen atoms
<B>    (others) =   43.08 ( sd =    6.27 ) for         39 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   23.98 /  132.95
B min/max   (protein non-hydrogen atoms) =   23.98 /  132.95
B min/max     (water non-hydrogen atoms) =   26.37 /  112.80
B min/max     (other non-hydrogen atoms) =   35.45 /   55.85

Refinement progression:

Results: