Covid19Pdb5RFQ

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      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   4.22   
RMS(bonds)            =   0.0126   
RMS(angles)           =   1.79   
MolProbity score      =   1.27   
Resolution            =   1.76   
R-work                =   0.1800   
R-free                =   0.2270   

Additional analysis:

Number of waters      =   337

<B> (all atoms) =   23.92 ( sd =    8.41 ) for       2739 non-hydrogen atoms
<B>   (protein) =   22.53 ( sd =    7.23 ) for       2370 non-hydrogen atoms
<B>     (water) =   32.99 ( sd =    9.82 ) for        337 non-hydrogen atoms
<B>    (others) =   32.04 ( sd =   12.85 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.06 /   80.36
B min/max   (protein non-hydrogen atoms) =   12.06 /   62.17
B min/max     (water non-hydrogen atoms) =   13.17 /   80.36
B min/max     (other non-hydrogen atoms) =   21.23 /   50.81

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   1.90   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.58   
MolProbity score      =   0.95   
Resolution            =   1.76   
R-work                =   0.1703   
R-free                =   0.2144   

Additional analysis:

Number of waters      =   332

<B> (all atoms) =   25.70 ( sd =    8.06 ) for       2734 non-hydrogen atoms
<B>   (protein) =   24.22 ( sd =    6.56 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.60 ( sd =    9.94 ) for        332 non-hydrogen atoms
<B>    (others) =   33.10 ( sd =   13.31 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.77 /   66.29
B min/max   (protein non-hydrogen atoms) =   11.77 /   61.25
B min/max     (water non-hydrogen atoms) =   13.65 /   66.29
B min/max     (other non-hydrogen atoms) =   22.37 /   50.37

Refinement progression:

Results: