Covid19Pdb6M3M

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:
    2.624         1.0000   0.0000   0.0000       a*
    2.646         0.0000   1.0000   0.0000       b*
    2.650         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  96.48 %   
Rotamer outliers      =   0.00 %   
C-beta deviations     =     0   
Clashscore            =  11.02   
RMS(bonds)            =   0.0050   
RMS(angles)           =   1.04   
MolProbity score      =   1.79   
Resolution            =   2.70   
R-work                =   0.2580   
R-free                =   0.2930   

Additional analysis:

Number of waters      =   130

<B> (all atoms) =   31.59 ( sd =   12.74 ) for       3949 non-hydrogen atoms
<B>   (protein) =   31.85 ( sd =   12.76 ) for       3819 non-hydrogen atoms
<B>     (water) =   24.03 ( sd =    9.51 ) for        130 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    6.30 /   80.12
B min/max   (protein non-hydrogen atoms) =    8.56 /   80.12
B min/max     (water non-hydrogen atoms) =    6.30 /   70.40
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 =  97.31 %   
Rotamer outliers      =   5.56 %   
C-beta deviations     =     0   
Clashscore            =   2.42   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.52   
MolProbity score      =   1.72   
Resolution            =   2.70   
R-work                =   0.2297   
R-free                =   0.2830   

Additional analysis:

Number of waters      =   216

<B> (all atoms) =   44.78 ( sd =   21.60 ) for       4035 non-hydrogen atoms
<B>   (protein) =   45.59 ( sd =   21.74 ) for       3819 non-hydrogen atoms
<B>     (water) =   30.33 ( sd =   11.82 ) for        216 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    4.58 /  130.55
B min/max   (protein non-hydrogen atoms) =   11.48 /  130.55
B min/max     (water non-hydrogen atoms) =    4.58 /   79.61
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: