Covid19Pdb2G75

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:
    2.240         1.0000   0.0000   0.0000       0.894 a* - 0.447 b*
    2.240         0.0000   1.0000   0.0000       b*
    2.559         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.47 %   
              favored =  92.71 %   
Rotamer outliers      =   3.45 %   
C-beta deviations     =     0   
Clashscore            =  20.25   
RMS(bonds)            =   0.0075   
RMS(angles)           =   1.45   
MolProbity score      =   2.67   
Resolution            =   2.28   
R-work                =   0.2210   
R-free                =   0.2770   

Additional analysis:

Number of waters      =   176

<B> (all atoms) =   58.68 ( sd =   16.09 ) for       6560 non-hydrogen atoms
<B>   (protein) =   58.83 ( sd =   16.23 ) for       6384 non-hydrogen atoms
<B>     (water) =   53.50 ( sd =    8.53 ) for        176 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   18.04 /  112.93
B min/max   (protein non-hydrogen atoms) =   18.04 /  112.93
B min/max     (water non-hydrogen atoms) =   31.24 /   77.93
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.47 %   
              favored =  95.88 %   
Rotamer outliers      =   6.35 %   
C-beta deviations     =     0   
Clashscore            =   3.73   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.67   
MolProbity score      =   2.06   
Resolution            =   2.28   
R-work                =   0.2009   
R-free                =   0.2244   

Additional analysis:

Number of waters      =   252

<B> (all atoms) =   59.48 ( sd =   11.83 ) for       6636 non-hydrogen atoms
<B>   (protein) =   59.36 ( sd =   11.86 ) for       6384 non-hydrogen atoms
<B>     (water) =   62.31 ( sd =   10.69 ) for        252 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   36.40 /  101.72
B min/max   (protein non-hydrogen atoms) =   36.40 /  101.72
B min/max     (water non-hydrogen atoms) =   40.21 /   93.81
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: