Covid19Pdb5RF7

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 =  98.68 %   
Rotamer outliers      =   0.37 %   
C-beta deviations     =     0   
Clashscore            =   4.35   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.84   
MolProbity score      =   1.21   
Resolution            =   1.54   
R-work                =   0.1800   
R-free                =   0.2170   

Additional analysis:

Number of waters      =   340

<B> (all atoms) =   22.87 ( sd =    8.69 ) for       2787 non-hydrogen atoms
<B>   (protein) =   21.33 ( sd =    7.37 ) for       2416 non-hydrogen atoms
<B>     (water) =   33.61 ( sd =    9.62 ) for        340 non-hydrogen atoms
<B>    (others) =   23.39 ( sd =   10.83 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.83 /   89.26
B min/max   (protein non-hydrogen atoms) =   11.83 /   71.02
B min/max     (water non-hydrogen atoms) =   14.15 /   89.26
B min/max     (other non-hydrogen atoms) =   15.24 /   41.36

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   0.37 %   
C-beta deviations     =     0   
Clashscore            =   2.90   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.56   
MolProbity score      =   1.08   
Resolution            =   1.54   
R-work                =   0.1814   
R-free                =   0.2071   

Additional analysis:

Number of waters      =   332

<B> (all atoms) =   23.27 ( sd =    8.43 ) for       2779 non-hydrogen atoms
<B>   (protein) =   21.52 ( sd =    6.41 ) for       2416 non-hydrogen atoms
<B>     (water) =   35.64 ( sd =   10.40 ) for        332 non-hydrogen atoms
<B>    (others) =   23.78 ( sd =   10.18 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   10.56 /   64.84
B min/max   (protein non-hydrogen atoms) =   10.56 /   53.84
B min/max     (water non-hydrogen atoms) =   14.17 /   64.84
B min/max     (other non-hydrogen atoms) =   15.31 /   38.31

Refinement progression:

Results: