Covid19Pdb5RE6

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 =  96.36 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     1   
Clashscore            =   4.65   
RMS(bonds)            =   0.0137   
RMS(angles)           =   1.86   
MolProbity score      =   1.48   
Resolution            =   1.87   
R-work                =   0.1860   
R-free                =   0.2510   

Additional analysis:

Number of waters      =   332

<B> (all atoms) =   29.17 ( sd =    9.87 ) for       2731 non-hydrogen atoms
<B>   (protein) =   27.81 ( sd =    9.20 ) for       2370 non-hydrogen atoms
<B>     (water) =   38.06 ( sd =    9.61 ) for        332 non-hydrogen atoms
<B>    (others) =   38.90 ( sd =   12.08 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.17 /   78.49
B min/max   (protein non-hydrogen atoms) =   16.17 /   75.41
B min/max     (water non-hydrogen atoms) =   16.42 /   78.49
B min/max     (other non-hydrogen atoms) =   28.57 /   50.75

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.01 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   2.53   
RMS(bonds)            =   0.0115   
RMS(angles)           =   1.59   
MolProbity score      =   1.04   
Resolution            =   1.87   
R-work                =   0.1900   
R-free                =   0.2489   

Additional analysis:

Number of waters      =   309

<B> (all atoms) =   31.73 ( sd =    8.44 ) for       2708 non-hydrogen atoms
<B>   (protein) =   30.33 ( sd =    7.28 ) for       2370 non-hydrogen atoms
<B>     (water) =   41.71 ( sd =    9.36 ) for        309 non-hydrogen atoms
<B>    (others) =   39.63 ( sd =   12.74 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   18.53 /   76.14
B min/max   (protein non-hydrogen atoms) =   19.65 /   66.91
B min/max     (water non-hydrogen atoms) =   18.53 /   76.14
B min/max     (other non-hydrogen atoms) =   34.24 /   50.82

Refinement progression:

Results: