Covid19Pdb5RFL

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)            =   0.0131   
RMS(angles)           =   1.83   
MolProbity score      =   1.27   
Resolution            =   1.64   
R-work                =   0.1840   
R-free                =   0.2250   

Additional analysis:

Number of waters      =   328

<B> (all atoms) =   23.19 ( sd =    8.48 ) for       2729 non-hydrogen atoms
<B>   (protein) =   21.86 ( sd =    7.55 ) for       2370 non-hydrogen atoms
<B>     (water) =   32.34 ( sd =    8.95 ) for        328 non-hydrogen atoms
<B>    (others) =   29.43 ( sd =   12.40 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.76 /   65.69
B min/max   (protein non-hydrogen atoms) =   11.76 /   65.59
B min/max     (water non-hydrogen atoms) =   12.88 /   65.69
B min/max     (other non-hydrogen atoms) =   19.33 /   40.56

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   2.11   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.58   
MolProbity score      =   0.98   
Resolution            =   1.64   
R-work                =   0.1835   
R-free                =   0.2203   

Additional analysis:

Number of waters      =   334

<B> (all atoms) =   24.99 ( sd =    8.17 ) for       2735 non-hydrogen atoms
<B>   (protein) =   23.42 ( sd =    6.59 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.72 ( sd =    9.56 ) for        334 non-hydrogen atoms
<B>    (others) =   29.16 ( sd =   13.22 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.41 /   68.77
B min/max   (protein non-hydrogen atoms) =    9.54 /   56.18
B min/max     (water non-hydrogen atoms) =    9.41 /   68.77
B min/max     (other non-hydrogen atoms) =   14.95 /   40.21

Refinement progression:

Results: