Covid19Pdb5RFZ

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      =   0.72 %   
C-beta deviations     =     0   
Clashscore            =   5.64   
RMS(bonds)            =   0.0130   
RMS(angles)           =   1.82   
MolProbity score      =   1.31   
Resolution            =   1.68   
R-work                =   0.1810   
R-free                =   0.2270   

Additional analysis:

Number of waters      =   338

<B> (all atoms) =   23.34 ( sd =    8.13 ) for       2842 non-hydrogen atoms
<B>   (protein) =   21.99 ( sd =    7.11 ) for       2473 non-hydrogen atoms
<B>     (water) =   32.52 ( sd =    9.11 ) for        338 non-hydrogen atoms
<B>    (others) =   29.48 ( sd =    9.14 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    8.21 /   58.85
B min/max   (protein non-hydrogen atoms) =   13.16 /   58.85
B min/max     (water non-hydrogen atoms) =    8.21 /   54.91
B min/max     (other non-hydrogen atoms) =   23.72 /   38.59

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.01 %   
Rotamer outliers      =   1.09 %   
C-beta deviations     =     0   
Clashscore            =   4.43   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.61   
MolProbity score      =   1.25   
Resolution            =   1.68   
R-work                =   0.1791   
R-free                =   0.2204   

Additional analysis:

Number of waters      =   321

<B> (all atoms) =   23.98 ( sd =    8.23 ) for       2825 non-hydrogen atoms
<B>   (protein) =   22.42 ( sd =    6.57 ) for       2473 non-hydrogen atoms
<B>     (water) =   35.19 ( sd =   10.31 ) for        321 non-hydrogen atoms
<B>    (others) =   29.35 ( sd =   10.81 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    8.11 /   66.52
B min/max   (protein non-hydrogen atoms) =    8.27 /   53.59
B min/max     (water non-hydrogen atoms) =    8.11 /   66.52
B min/max     (other non-hydrogen atoms) =   20.14 /   41.84

Refinement progression:

Results: