Covid19Pdb1Q2W

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:
    1.825         0.9985   0.0000  -0.0553       0.941 a* - 0.338 c*
    1.852         0.0000   1.0000   0.0000       b*
    1.835         0.0553   0.0000   0.9985       0.044 a* + 0.999 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  97.43 %   
Rotamer outliers      =   5.00 %   
C-beta deviations     =     3   
Clashscore            =   7.36   
RMS(bonds)            =   0.0184   
RMS(angles)           =   1.73   
MolProbity score      =   2.05   
Resolution            =   1.86   
R-work                =   0.1940   
R-free                =   0.2490   

Additional analysis:

Number of waters      =   456

<B> (all atoms) =   30.98 ( sd =    9.76 ) for       5104 non-hydrogen atoms
<B>   (protein) =   30.04 ( sd =    9.25 ) for       4640 non-hydrogen atoms
<B>     (water) =   40.40 ( sd =    9.68 ) for        456 non-hydrogen atoms
<B>    (others) =   28.45 ( sd =    1.16 ) for          8 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.04 /   74.77
B min/max   (protein non-hydrogen atoms) =   13.04 /   66.10
B min/max     (water non-hydrogen atoms) =   17.68 /   74.77
B min/max     (other non-hydrogen atoms) =   27.28 /   30.34

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.12 %   
Rotamer outliers      =   2.50 %   
C-beta deviations     =     0   
Clashscore            =   4.33   
RMS(bonds)            =   0.0121   
RMS(angles)           =   1.52   
MolProbity score      =   1.52   
Resolution            =   1.86   
R-work                =   0.1858   
R-free                =   0.2128   

Additional analysis:

Number of waters      =   545

<B> (all atoms) =   33.04 ( sd =   11.12 ) for       5193 non-hydrogen atoms
<B>   (protein) =   31.78 ( sd =   10.35 ) for       4640 non-hydrogen atoms
<B>     (water) =   43.71 ( sd =   11.50 ) for        545 non-hydrogen atoms
<B>    (others) =   27.12 ( sd =    0.20 ) for          8 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.82 /   92.93
B min/max   (protein non-hydrogen atoms) =   14.82 /   74.01
B min/max     (water non-hydrogen atoms) =   18.92 /   92.93
B min/max     (other non-hydrogen atoms) =   26.78 /   27.43

Refinement progression:

Results: