Covid19Pdb5RE8

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 =  96.03 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     1   
Clashscore            =   6.34   
RMS(bonds)            =   0.0137   
RMS(angles)           =   1.83   
MolProbity score      =   1.62   
Resolution            =   1.81   
R-work                =   0.1900   
R-free                =   0.2480   

Additional analysis:

Number of waters      =   334

<B> (all atoms) =   31.92 ( sd =   11.20 ) for       2731 non-hydrogen atoms
<B>   (protein) =   30.35 ( sd =   10.21 ) for       2370 non-hydrogen atoms
<B>     (water) =   42.46 ( sd =   11.46 ) for        334 non-hydrogen atoms
<B>    (others) =   37.68 ( sd =   18.32 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.13 /  107.70
B min/max   (protein non-hydrogen atoms) =   15.96 /   88.08
B min/max     (water non-hydrogen atoms) =   15.13 /  107.70
B min/max     (other non-hydrogen atoms) =   22.29 /   60.86

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.01 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     0   
Clashscore            =   3.59   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.56   
MolProbity score      =   1.19   
Resolution            =   1.81   
R-work                =   0.1859   
R-free                =   0.2281   

Additional analysis:

Number of waters      =   275

<B> (all atoms) =   31.19 ( sd =    9.04 ) for       2672 non-hydrogen atoms
<B>   (protein) =   29.81 ( sd =    7.91 ) for       2370 non-hydrogen atoms
<B>     (water) =   42.15 ( sd =    9.29 ) for        275 non-hydrogen atoms
<B>    (others) =   40.67 ( sd =   19.19 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.11 /   68.49
B min/max   (protein non-hydrogen atoms) =   14.11 /   68.49
B min/max     (water non-hydrogen atoms) =   15.78 /   67.97
B min/max     (other non-hydrogen atoms) =   28.64 /   62.78

Refinement progression:

Results: