Covid19Pdb3SNB

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.65 %   
              favored =  95.10 %   
Rotamer outliers      =   6.30 %   
C-beta deviations     =     1   
Clashscore            =   7.48   
RMS(bonds)            =   0.0131   
RMS(angles)           =   1.41   
MolProbity score      =   2.36   
Resolution            =   2.40   
R-work                =   0.2090   
R-free                =   0.2500   

Additional analysis:

Number of waters      =    69

<B> (all atoms) =   38.22 ( sd =   11.90 ) for       2504 non-hydrogen atoms
<B>   (protein) =   38.03 ( sd =   11.44 ) for       2423 non-hydrogen atoms
<B>     (water) =   36.95 ( sd =    8.59 ) for         69 non-hydrogen atoms
<B>    (others) =   96.59 ( sd =    5.17 ) for         12 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.15 /  117.26
B min/max   (protein non-hydrogen atoms) =   15.69 /  117.26
B min/max     (water non-hydrogen atoms) =   15.15 /   60.65
B min/max     (other non-hydrogen atoms) =   33.84 /  106.08

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  96.41 %   
Rotamer outliers      =   6.30 %   
C-beta deviations     =     1   
Clashscore            =   5.40   
RMS(bonds)            =   0.0117   
RMS(angles)           =   1.61   
MolProbity score      =   2.14   
Resolution            =   2.40   
R-work                =   0.1807   
R-free                =   0.2053   

Additional analysis:

Number of waters      =   146

<B> (all atoms) =   46.40 ( sd =   11.73 ) for       2581 non-hydrogen atoms
<B>   (protein) =   46.02 ( sd =   11.59 ) for       2423 non-hydrogen atoms
<B>     (water) =   50.62 ( sd =   10.79 ) for        146 non-hydrogen atoms
<B>    (others) =   77.16 ( sd =    2.07 ) for         12 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   23.34 /  100.01
B min/max   (protein non-hydrogen atoms) =   26.41 /  100.01
B min/max     (water non-hydrogen atoms) =   23.34 /   84.37
B min/max     (other non-hydrogen atoms) =   33.84 /   80.35

Refinement progression:

Results: