Covid19Pdb4ZPW

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:
    2.920         1.0000   0.0000   0.0000       a*
    3.092         0.0000   1.0000   0.0000       b*
    2.976         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.24 %   
              favored =  96.60 %   
Rotamer outliers      =   5.53 %   
C-beta deviations     =     0   
Clashscore            =   6.18   
RMS(bonds)            =   0.0032   
RMS(angles)           =   0.82   
MolProbity score      =   2.12   
Resolution            =   3.02   
R-work                =   0.2170   
R-free                =   0.2590   

Additional analysis:

Number of waters      =   105

<B> (all atoms) =   61.26 ( sd =   31.02 ) for       3388 non-hydrogen atoms
<B>   (protein) =   60.09 ( sd =   29.29 ) for       3222 non-hydrogen atoms
<B>     (water) =   48.30 ( sd =   12.56 ) for        105 non-hydrogen atoms
<B>    (others) =  145.49 ( sd =   20.11 ) for         61 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   28.48 /  222.35
B min/max   (protein non-hydrogen atoms) =   28.48 /  222.35
B min/max     (water non-hydrogen atoms) =   31.85 /   86.30
B min/max     (other non-hydrogen atoms) =   99.62 /  175.10

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.24 %   
              favored =  94.66 %   
Rotamer outliers      =   9.74 %   
C-beta deviations     =     2   
Clashscore            =   6.18   
RMS(bonds)            =   0.0120   
RMS(angles)           =   1.63   
MolProbity score      =   2.46   
Resolution            =   3.02   
R-work                =   0.2100   
R-free                =   0.2452   

Additional analysis:

Number of waters      =   120

<B> (all atoms) =   61.45 ( sd =   23.66 ) for       3403 non-hydrogen atoms
<B>   (protein) =   61.21 ( sd =   23.27 ) for       3222 non-hydrogen atoms
<B>     (water) =   48.77 ( sd =   19.93 ) for        120 non-hydrogen atoms
<B>    (others) =   99.39 ( sd =    9.63 ) for         61 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   17.64 /  171.73
B min/max   (protein non-hydrogen atoms) =   29.74 /  171.73
B min/max     (water non-hydrogen atoms) =   17.64 /  153.46
B min/max     (other non-hydrogen atoms) =   84.47 /  120.63

Refinement progression:

Results: