Covid19Pdb6NB5

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:
    3.092         0.8638   0.0000  -0.5039       0.659 a* - 0.752 c*
    2.842         0.0000   1.0000   0.0000       b*
    4.031         0.5039   0.0000   0.8638       0.493 a* + 0.870 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.12 %   
              favored =  95.52 %   
Rotamer outliers      =   1.11 %   
C-beta deviations     =     0   
Clashscore            =   2.76   
RMS(bonds)            =   0.0133   
RMS(angles)           =   1.64   
MolProbity score      =   1.41   
Resolution            =   3.00   
R-work                =   0.2280   
R-free                =   0.2830   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =   55.22 ( sd =   27.64 ) for       6395 non-hydrogen atoms
<B>   (protein) =   55.22 ( sd =   27.64 ) for       6395 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.85 /  172.99
B min/max   (protein non-hydrogen atoms) =   15.85 /  172.99
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.83 %   
              favored =  90.80 %   
Rotamer outliers      =   9.56 %   
C-beta deviations     =     6   
Clashscore            =   8.92   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.69   
MolProbity score      =   2.75   
Resolution            =   3.00   
R-work                =   0.1811   
R-free                =   0.2405   

Additional analysis:

Number of waters      =    98

<B> (all atoms) =   61.19 ( sd =   25.61 ) for       6493 non-hydrogen atoms
<B>   (protein) =   61.77 ( sd =   25.31 ) for       6395 non-hydrogen atoms
<B>     (water) =   23.45 ( sd =   14.71 ) for         98 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    3.00 /  142.50
B min/max   (protein non-hydrogen atoms) =   20.51 /  142.50
B min/max     (water non-hydrogen atoms) =    3.00 /   94.75
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: