Covid19Pdb5RF1

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:
    1.917         0.9839   0.0000  -0.1786       0.988 a* - 0.155 c*
    1.749         0.0000   1.0000   0.0000       b*
    1.654         0.1786   0.0000   0.9839       0.441 a* + 0.898 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.02 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     0   
Clashscore            =   4.85   
RMS(bonds)            =   0.0133   
RMS(angles)           =   1.82   
MolProbity score      =   1.47   
Resolution            =   1.73   
R-work                =   0.1860   
R-free                =   0.2360   

Additional analysis:

Number of waters      =   334

<B> (all atoms) =   28.22 ( sd =   10.18 ) for       2731 non-hydrogen atoms
<B>   (protein) =   26.60 ( sd =    9.16 ) for       2370 non-hydrogen atoms
<B>     (water) =   38.95 ( sd =   10.36 ) for        334 non-hydrogen atoms
<B>    (others) =   37.53 ( sd =   10.75 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.84 /   81.18
B min/max   (protein non-hydrogen atoms) =   14.52 /   81.18
B min/max     (water non-hydrogen atoms) =   13.84 /   75.06
B min/max     (other non-hydrogen atoms) =   32.13 /   51.07

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.68 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   4.01   
RMS(bonds)            =   0.0118   
RMS(angles)           =   1.57   
MolProbity score      =   1.39   
Resolution            =   1.73   
R-work                =   0.1841   
R-free                =   0.2211   

Additional analysis:

Number of waters      =   307

<B> (all atoms) =   29.41 ( sd =    9.04 ) for       2704 non-hydrogen atoms
<B>   (protein) =   27.68 ( sd =    7.31 ) for       2370 non-hydrogen atoms
<B>     (water) =   41.72 ( sd =   10.70 ) for        307 non-hydrogen atoms
<B>    (others) =   41.91 ( sd =   12.04 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   15.19 /   88.01
B min/max   (protein non-hydrogen atoms) =   15.19 /   59.95
B min/max     (water non-hydrogen atoms) =   17.73 /   88.01
B min/max     (other non-hydrogen atoms) =   34.74 /   54.89

Refinement progression:

Results: