Covid19Pdb1WYY

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.41 %   
              favored =  97.11 %   
Rotamer outliers      =   2.74 %   
C-beta deviations     =     0   
Clashscore            =   7.50   
RMS(bonds)            =   0.0058   
RMS(angles)           =   1.01   
MolProbity score      =   1.90   
Resolution            =   2.20   
R-work                =   0.2100   
R-free                =   0.2490   

Additional analysis:

Number of waters      =   110

<B> (all atoms) =   46.43 ( sd =   20.63 ) for       2030 non-hydrogen atoms
<B>   (protein) =   46.17 ( sd =   21.00 ) for       1916 non-hydrogen atoms
<B>     (water) =   51.06 ( sd =   11.42 ) for        110 non-hydrogen atoms
<B>    (others) =   53.49 ( sd =   41.41 ) for          4 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.15 /  119.41
B min/max   (protein non-hydrogen atoms) =   16.15 /  119.41
B min/max     (water non-hydrogen atoms) =   27.24 /   82.25
B min/max     (other non-hydrogen atoms) =   47.26 /   57.73

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  99.17 %   
Rotamer outliers      =   5.48 %   
C-beta deviations     =     0   
Clashscore            =   1.55   
RMS(bonds)            =   0.0127   
RMS(angles)           =   1.27   
MolProbity score      =   1.46   
Resolution            =   2.21   
R-work                =   0.1903   
R-free                =   0.2279   

Additional analysis:

Number of waters      =   106

<B> (all atoms) =   45.40 ( sd =   19.23 ) for       2026 non-hydrogen atoms
<B>   (protein) =   45.18 ( sd =   19.48 ) for       1916 non-hydrogen atoms
<B>     (water) =   49.43 ( sd =   13.18 ) for        106 non-hydrogen atoms
<B>    (others) =   46.03 ( sd =   35.64 ) for          4 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   24.00 /  123.51
B min/max   (protein non-hydrogen atoms) =   24.00 /  123.51
B min/max     (water non-hydrogen atoms) =   26.95 /   82.00
B min/max     (other non-hydrogen atoms) =   41.44 /   51.22

Refinement progression:

Results: