Covid19Pdb2ZU4

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:
    1.896         0.9503   0.0000   0.3113       0.999 a* + 0.032 c*
    1.924         0.0000   1.0000   0.0000       b*
    1.850        -0.3113   0.0000   0.9503      -0.537 a* + 0.844 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.99 %   
              favored =  93.75 %   
Rotamer outliers      =   6.84 %   
C-beta deviations     =     1   
Clashscore            =  14.63   
RMS(bonds)            =   0.0184   
RMS(angles)           =   2.00   
MolProbity score      =   2.72   
Resolution            =   1.93   
R-work                =   0.2350   
R-free                =   0.2640   

Additional analysis:

Number of waters      =   173

<B> (all atoms) =   52.32 ( sd =   13.19 ) for       2588 non-hydrogen atoms
<B>   (protein) =   51.81 ( sd =   13.22 ) for       2371 non-hydrogen atoms
<B>     (water) =   59.80 ( sd =   11.30 ) for        173 non-hydrogen atoms
<B>    (others) =   50.65 ( sd =    9.21 ) for         44 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   25.67 /   96.39
B min/max   (protein non-hydrogen atoms) =   25.67 /   96.39
B min/max     (water non-hydrogen atoms) =   33.99 /   91.65
B min/max     (other non-hydrogen atoms) =   35.50 /   65.50

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.37 %   
Rotamer outliers      =   5.32 %   
C-beta deviations     =     1   
Clashscore            =   2.72   
RMS(bonds)            =   0.0111   
RMS(angles)           =   1.56   
MolProbity score      =   1.73   
Resolution            =   1.93   
R-work                =   0.2099   
R-free                =   0.2339   

Additional analysis:

Number of waters      =   213

<B> (all atoms) =   54.92 ( sd =   14.19 ) for       2628 non-hydrogen atoms
<B>   (protein) =   54.06 ( sd =   13.63 ) for       2371 non-hydrogen atoms
<B>     (water) =   65.61 ( sd =   16.81 ) for        213 non-hydrogen atoms
<B>    (others) =   49.54 ( sd =    7.71 ) for         44 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   31.40 /  179.18
B min/max   (protein non-hydrogen atoms) =   31.40 /  103.12
B min/max     (water non-hydrogen atoms) =   34.30 /  179.18
B min/max     (other non-hydrogen atoms) =   38.96 /   60.17

Refinement progression:

Results: