Covid19Pdb5N19

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 =  98.36 %   
Rotamer outliers      =   1.50 %   
C-beta deviations     =     5   
Clashscore            =   3.34   
RMS(bonds)            =   0.0283   
RMS(angles)           =   2.43   
MolProbity score      =   1.26   
Resolution            =   1.62   
R-work                =   0.1720   
R-free                =   0.2000   

Additional analysis:

Number of waters      =   415

<B> (all atoms) =   34.98 ( sd =   11.52 ) for       2852 non-hydrogen atoms
<B>   (protein) =   32.66 ( sd =   10.18 ) for       2391 non-hydrogen atoms
<B>     (water) =   46.90 ( sd =   10.03 ) for        415 non-hydrogen atoms
<B>    (others) =   46.32 ( sd =   13.90 ) for         46 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   18.99 /  103.46
B min/max   (protein non-hydrogen atoms) =   18.99 /  103.46
B min/max     (water non-hydrogen atoms) =   22.29 /   72.75
B min/max     (other non-hydrogen atoms) =   28.05 /   79.59

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.70 %   
Rotamer outliers      =   1.87 %   
C-beta deviations     =     0   
Clashscore            =   1.67   
RMS(bonds)            =   0.0119   
RMS(angles)           =   1.54   
MolProbity score      =   1.19   
Resolution            =   1.62   
R-work                =   0.1696   
R-free                =   0.1785   

Additional analysis:

Number of waters      =   424

<B> (all atoms) =   34.80 ( sd =   11.13 ) for       2861 non-hydrogen atoms
<B>   (protein) =   31.94 ( sd =    8.07 ) for       2391 non-hydrogen atoms
<B>     (water) =   49.96 ( sd =   12.44 ) for        424 non-hydrogen atoms
<B>    (others) =   42.58 ( sd =   14.51 ) for         46 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   18.84 /   95.32
B min/max   (protein non-hydrogen atoms) =   18.84 /   63.43
B min/max     (water non-hydrogen atoms) =   21.96 /   95.32
B min/max     (other non-hydrogen atoms) =   29.40 /   86.50

Refinement progression:

Results: