Covid19Pdb2H2Z

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:
    1.434         0.8860   0.0000  -0.4636       0.936 a* - 0.351 c*
    1.567         0.0000   1.0000   0.0000       b*
    1.586         0.4636   0.0000   0.8860       0.785 a* + 0.619 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  99.01 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   6.61   
RMS(bonds)            =   0.0092   
RMS(angles)           =   1.61   
MolProbity score      =   1.36   
Resolution            =   1.60   
R-work                =   0.2010   
R-free                =   0.2140   

Additional analysis:

Number of waters      =   370

<B> (all atoms) =   29.34 ( sd =    9.31 ) for       2741 non-hydrogen atoms
<B>   (protein) =   27.45 ( sd =    7.36 ) for       2371 non-hydrogen atoms
<B>     (water) =   41.50 ( sd =   11.31 ) for        370 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.38 /   76.98
B min/max   (protein non-hydrogen atoms) =   15.38 /   62.80
B min/max     (water non-hydrogen atoms) =   18.06 /   76.98
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 =  98.68 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   2.98   
RMS(bonds)            =   0.0128   
RMS(angles)           =   1.53   
MolProbity score      =   1.09   
Resolution            =   1.50   
R-work                =   0.1784   
R-free                =   0.1968   

Additional analysis:

Number of waters      =   425

<B> (all atoms) =   30.19 ( sd =   10.53 ) for       2796 non-hydrogen atoms
<B>   (protein) =   27.69 ( sd =    7.77 ) for       2371 non-hydrogen atoms
<B>     (water) =   44.20 ( sd =   12.86 ) for        425 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.80 /   91.32
B min/max   (protein non-hydrogen atoms) =   15.80 /   69.96
B min/max     (water non-hydrogen atoms) =   17.91 /   91.32
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: