Covid19Pdb5RE7

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 =  97.68 %   
Rotamer outliers      =   1.07 %   
C-beta deviations     =     1   
Clashscore            =   9.33   
RMS(bonds)            =   0.0130   
RMS(angles)           =   1.80   
MolProbity score      =   1.59   
Resolution            =   1.79   
R-work                =   0.1670   
R-free                =   0.2250   

Additional analysis:

Number of waters      =   384

<B> (all atoms) =   30.02 ( sd =   12.48 ) for       2919 non-hydrogen atoms
<B>   (protein) =   27.59 ( sd =    9.79 ) for       2504 non-hydrogen atoms
<B>     (water) =   43.19 ( sd =   16.45 ) for        384 non-hydrogen atoms
<B>    (others) =   50.02 ( sd =   18.45 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.22 /  228.09
B min/max   (protein non-hydrogen atoms) =   16.28 /   88.33
B min/max     (water non-hydrogen atoms) =   16.22 /  228.09
B min/max     (other non-hydrogen atoms) =   33.45 /   75.05

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.01 %   
Rotamer outliers      =   1.42 %   
C-beta deviations     =     0   
Clashscore            =   4.37   
RMS(bonds)            =   0.0117   
RMS(angles)           =   1.59   
MolProbity score      =   1.33   
Resolution            =   1.79   
R-work                =   0.1841   
R-free                =   0.2362   

Additional analysis:

Number of waters      =   331

<B> (all atoms) =   29.50 ( sd =   10.25 ) for       2866 non-hydrogen atoms
<B>   (protein) =   27.32 ( sd =    8.07 ) for       2504 non-hydrogen atoms
<B>     (water) =   42.74 ( sd =   11.15 ) for        331 non-hydrogen atoms
<B>    (others) =   54.65 ( sd =   21.06 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.95 /   81.25
B min/max   (protein non-hydrogen atoms) =    9.95 /   67.26
B min/max     (water non-hydrogen atoms) =   13.89 /   77.58
B min/max     (other non-hydrogen atoms) =   36.46 /   81.25

Refinement progression:

Results: