Covid19Pdb5RE5

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.66 %   
              favored =  95.03 %   
Rotamer outliers      =   1.89 %   
C-beta deviations     =     0   
Clashscore            =   6.12   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.84   
MolProbity score      =   1.89   
Resolution            =   2.07   
R-work                =   0.1810   
R-free                =   0.2650   

Additional analysis:

Number of waters      =   330

<B> (all atoms) =   38.61 ( sd =   12.16 ) for       2730 non-hydrogen atoms
<B>   (protein) =   37.49 ( sd =   11.52 ) for       2370 non-hydrogen atoms
<B>     (water) =   45.96 ( sd =   13.34 ) for        330 non-hydrogen atoms
<B>    (others) =   47.53 ( sd =   20.14 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   19.07 /  125.51
B min/max   (protein non-hydrogen atoms) =   20.70 /  113.23
B min/max     (water non-hydrogen atoms) =   19.07 /  125.51
B min/max     (other non-hydrogen atoms) =   34.95 /   73.85

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.35 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     0   
Clashscore            =   3.17   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.57   
MolProbity score      =   1.28   
Resolution            =   2.07   
R-work                =   0.1898   
R-free                =   0.2517   

Additional analysis:

Number of waters      =   263

<B> (all atoms) =   37.06 ( sd =    8.68 ) for       2663 non-hydrogen atoms
<B>   (protein) =   36.11 ( sd =    7.67 ) for       2370 non-hydrogen atoms
<B>     (water) =   44.84 ( sd =   11.54 ) for        263 non-hydrogen atoms
<B>    (others) =   44.74 ( sd =   19.05 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   19.93 /  138.35
B min/max   (protein non-hydrogen atoms) =   24.42 /   74.38
B min/max     (water non-hydrogen atoms) =   19.93 /  138.35
B min/max     (other non-hydrogen atoms) =   34.29 /   64.89

Refinement progression:

Results: