Covid19Pdb6NB8

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

    Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:
    1.597         1.0000   0.0000   0.0000       a*
    1.471         0.0000   1.0000   0.0000       b*
    1.442         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.43 %   
Rotamer outliers      =   0.93 %   
C-beta deviations     =     0   
Clashscore            =   2.97   
RMS(bonds)            =   0.0121   
RMS(angles)           =   1.72   
MolProbity score      =   1.09   
Resolution            =   1.50   
R-work                =   0.1290   
R-free                =   0.1670   

Additional analysis:

Number of waters      =   468

<B> (all atoms) =   21.86 ( sd =   10.39 ) for       4206 non-hydrogen atoms
<B>   (protein) =   19.96 ( sd =    8.68 ) for       3738 non-hydrogen atoms
<B>     (water) =   35.80 ( sd =   10.18 ) for        468 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   10.07 /   76.81
B min/max   (protein non-hydrogen atoms) =   10.07 /   76.81
B min/max     (water non-hydrogen atoms) =   13.57 /   67.58
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.43 %   
Rotamer outliers      =   0.70 %   
C-beta deviations     =     1   
Clashscore            =   2.03   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.59   
MolProbity score      =   0.97   
Resolution            =   1.50   
R-work                =   0.1698   
R-free                =   0.1905   

Additional analysis:

Number of waters      =   498

<B> (all atoms) =   21.94 ( sd =   10.03 ) for       4236 non-hydrogen atoms
<B>   (protein) =   19.89 ( sd =    7.58 ) for       3738 non-hydrogen atoms
<B>     (water) =   36.08 ( sd =   12.04 ) for        498 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   10.21 /   86.85
B min/max   (protein non-hydrogen atoms) =   10.21 /   64.09
B min/max     (water non-hydrogen atoms) =   13.15 /   86.85
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: