Covid19Pdb5RFK

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 =  97.02 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     0   
Clashscore            =   4.86   
RMS(bonds)            =   0.0135   
RMS(angles)           =   1.81   
MolProbity score      =   1.47   
Resolution            =   1.75   
R-work                =   0.1880   
R-free                =   0.2350   

Additional analysis:

Number of waters      =   337

<B> (all atoms) =   25.61 ( sd =    9.56 ) for       2737 non-hydrogen atoms
<B>   (protein) =   24.21 ( sd =    8.76 ) for       2370 non-hydrogen atoms
<B>     (water) =   34.49 ( sd =    9.94 ) for        337 non-hydrogen atoms
<B>    (others) =   37.64 ( sd =    9.73 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.52 /   73.90
B min/max   (protein non-hydrogen atoms) =   13.52 /   73.90
B min/max     (water non-hydrogen atoms) =   15.00 /   61.92
B min/max     (other non-hydrogen atoms) =   24.12 /   48.60

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.01 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   2.11   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.55   
MolProbity score      =   0.98   
Resolution            =   1.75   
R-work                =   0.1784   
R-free                =   0.2189   

Additional analysis:

Number of waters      =   329

<B> (all atoms) =   26.81 ( sd =    8.62 ) for       2729 non-hydrogen atoms
<B>   (protein) =   25.27 ( sd =    7.24 ) for       2370 non-hydrogen atoms
<B>     (water) =   37.03 ( sd =   10.27 ) for        329 non-hydrogen atoms
<B>    (others) =   36.30 ( sd =   10.08 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.60 /   72.85
B min/max   (protein non-hydrogen atoms) =   14.85 /   68.88
B min/max     (water non-hydrogen atoms) =   13.60 /   72.85
B min/max     (other non-hydrogen atoms) =   26.07 /   45.36

Refinement progression:

Results: