Covid19Pdb5RFS

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      =   1.11 %   
C-beta deviations     =     0   
Clashscore            =   5.17   
RMS(bonds)            =   0.0144   
RMS(angles)           =   1.93   
MolProbity score      =   1.31   
Resolution            =   1.70   
R-work                =   0.1870   
R-free                =   0.2330   

Additional analysis:

Number of waters      =   338

<B> (all atoms) =   23.82 ( sd =    9.20 ) for       2785 non-hydrogen atoms
<B>   (protein) =   22.74 ( sd =    8.72 ) for       2416 non-hydrogen atoms
<B>     (water) =   31.32 ( sd =    9.94 ) for        338 non-hydrogen atoms
<B>    (others) =   31.82 ( sd =   10.83 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    7.29 /   85.05
B min/max   (protein non-hydrogen atoms) =   11.66 /   85.05
B min/max     (water non-hydrogen atoms) =    7.29 /   60.69
B min/max     (other non-hydrogen atoms) =   20.89 /   56.98

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   1.11 %   
C-beta deviations     =     0   
Clashscore            =   1.86   
RMS(bonds)            =   0.0115   
RMS(angles)           =   1.56   
MolProbity score      =   0.98   
Resolution            =   1.70   
R-work                =   0.1816   
R-free                =   0.2200   

Additional analysis:

Number of waters      =   329

<B> (all atoms) =   25.30 ( sd =    8.14 ) for       2776 non-hydrogen atoms
<B>   (protein) =   24.05 ( sd =    6.99 ) for       2416 non-hydrogen atoms
<B>     (water) =   34.24 ( sd =   10.58 ) for        329 non-hydrogen atoms
<B>    (others) =   29.92 ( sd =   10.51 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   10.56 /   85.16
B min/max   (protein non-hydrogen atoms) =   14.58 /   56.38
B min/max     (water non-hydrogen atoms) =   10.56 /   85.16
B min/max     (other non-hydrogen atoms) =   20.07 /   49.20

Refinement progression:

Results: