Covid19Pdb5RFC

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 =  98.01 %   
Rotamer outliers      =   0.37 %   
C-beta deviations     =     0   
Clashscore            =   4.14   
RMS(bonds)            =   0.0138   
RMS(angles)           =   1.84   
MolProbity score      =   1.20   
Resolution            =   1.40   
R-work                =   0.1800   
R-free                =   0.2130   

Additional analysis:

Number of waters      =   343

<B> (all atoms) =   20.63 ( sd =    8.88 ) for       2788 non-hydrogen atoms
<B>   (protein) =   19.02 ( sd =    7.67 ) for       2416 non-hydrogen atoms
<B>     (water) =   31.53 ( sd =    9.27 ) for        343 non-hydrogen atoms
<B>    (others) =   24.60 ( sd =    9.04 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.49 /   60.51
B min/max   (protein non-hydrogen atoms) =    9.49 /   60.51
B min/max     (water non-hydrogen atoms) =   11.84 /   57.81
B min/max     (other non-hydrogen atoms) =   18.66 /   35.61

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   2.22 %   
C-beta deviations     =     0   
Clashscore            =   2.28   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.55   
MolProbity score      =   1.27   
Resolution            =   1.40   
R-work                =   0.1810   
R-free                =   0.2095   

Additional analysis:

Number of waters      =   361

<B> (all atoms) =   22.35 ( sd =    8.83 ) for       2806 non-hydrogen atoms
<B>   (protein) =   20.50 ( sd =    6.89 ) for       2416 non-hydrogen atoms
<B>     (water) =   34.27 ( sd =   10.68 ) for        361 non-hydrogen atoms
<B>    (others) =   25.87 ( sd =    9.22 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    7.81 /  124.66
B min/max   (protein non-hydrogen atoms) =   10.48 /   57.38
B min/max     (water non-hydrogen atoms) =    7.81 /  124.66
B min/max     (other non-hydrogen atoms) =   20.33 /   34.63

Refinement progression:

Results: