Covid19Pdb3SN8

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 =  95.39 %   
Rotamer outliers      =   4.92 %   
C-beta deviations     =     1   
Clashscore            =   7.57   
RMS(bonds)            =   0.0186   
RMS(angles)           =   1.60   
MolProbity score      =   2.26   
Resolution            =   1.99   
R-work                =   0.2170   
R-free                =   0.2700   

Additional analysis:

Number of waters      =   215

<B> (all atoms) =   33.19 ( sd =    9.90 ) for       2621 non-hydrogen atoms
<B>   (protein) =   32.39 ( sd =    9.61 ) for       2374 non-hydrogen atoms
<B>     (water) =   41.07 ( sd =    9.53 ) for        215 non-hydrogen atoms
<B>    (others) =   39.65 ( sd =    7.95 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.75 /   72.43
B min/max   (protein non-hydrogen atoms) =   13.75 /   67.12
B min/max     (water non-hydrogen atoms) =   17.13 /   72.43
B min/max     (other non-hydrogen atoms) =   31.18 /   55.87

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  96.71 %   
Rotamer outliers      =   2.27 %   
C-beta deviations     =     0   
Clashscore            =   2.94   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.52   
MolProbity score      =   1.56   
Resolution            =   1.99   
R-work                =   0.1906   
R-free                =   0.2362   

Additional analysis:

Number of waters      =   245

<B> (all atoms) =   37.73 ( sd =   11.60 ) for       2651 non-hydrogen atoms
<B>   (protein) =   36.62 ( sd =   11.11 ) for       2374 non-hydrogen atoms
<B>     (water) =   48.16 ( sd =   11.69 ) for        245 non-hydrogen atoms
<B>    (others) =   40.52 ( sd =    4.76 ) for         32 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   17.18 /   83.30
B min/max   (protein non-hydrogen atoms) =   18.11 /   83.30
B min/max     (water non-hydrogen atoms) =   17.18 /   77.99
B min/max     (other non-hydrogen atoms) =   33.46 /   49.14

Refinement progression:

Results: