Covid19Pdb5REA

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      =   1.43 %   
C-beta deviations     =     1   
Clashscore            =   4.99   
RMS(bonds)            =   0.0130   
RMS(angles)           =   1.81   
MolProbity score      =   1.45   
Resolution            =   1.63   
R-work                =   0.1850   
R-free                =   0.2280   

Additional analysis:

Number of waters      =   390

<B> (all atoms) =   25.35 ( sd =    7.93 ) for       2917 non-hydrogen atoms
<B>   (protein) =   24.26 ( sd =    7.11 ) for       2497 non-hydrogen atoms
<B>     (water) =   34.73 ( sd =   18.03 ) for        390 non-hydrogen atoms
<B>    (others) =   40.63 ( sd =   20.01 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.48 /  136.15
B min/max   (protein non-hydrogen atoms) =   14.09 /   64.96
B min/max     (water non-hydrogen atoms) =   12.48 /  136.15
B min/max     (other non-hydrogen atoms) =   31.55 /   51.89

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   1.43 %   
C-beta deviations     =     1   
Clashscore            =   3.19   
RMS(bonds)            =   0.0111   
RMS(angles)           =   1.58   
MolProbity score      =   1.23   
Resolution            =   1.63   
R-work                =   0.2242   
R-free                =   0.2541   

Additional analysis:

Number of waters      =   313

<B> (all atoms) =   25.70 ( sd =    8.10 ) for       2840 non-hydrogen atoms
<B>   (protein) =   25.14 ( sd =    7.51 ) for       2497 non-hydrogen atoms
<B>     (water) =   30.04 ( sd =   15.31 ) for        313 non-hydrogen atoms
<B>    (others) =   50.62 ( sd =   27.28 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    7.80 /   97.85
B min/max   (protein non-hydrogen atoms) =    7.80 /   48.48
B min/max     (water non-hydrogen atoms) =    8.16 /   79.85
B min/max     (other non-hydrogen atoms) =   24.05 /   97.85

Refinement progression:

Results: