Covid19Pdb5RF4

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:
    1.757         0.7099   0.0000  -0.7043       0.905 a* - 0.426 c*
    1.546         0.0000   1.0000   0.0000       b*
    1.653         0.7043   0.0000   0.7099       0.958 a* + 0.286 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   0.37 %   
C-beta deviations     =     0   
Clashscore            =   5.13   
RMS(bonds)            =   0.0133   
RMS(angles)           =   1.82   
MolProbity score      =   1.27   
Resolution            =   1.61   
R-work                =   0.1800   
R-free                =   0.2250   

Additional analysis:

Number of waters      =   336

<B> (all atoms) =   24.25 ( sd =    9.46 ) for       2795 non-hydrogen atoms
<B>   (protein) =   22.75 ( sd =    8.50 ) for       2440 non-hydrogen atoms
<B>     (water) =   34.42 ( sd =    9.47 ) for        336 non-hydrogen atoms
<B>    (others) =   32.31 ( sd =   10.61 ) for         19 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.31 /   71.03
B min/max   (protein non-hydrogen atoms) =   12.31 /   71.03
B min/max     (water non-hydrogen atoms) =   13.40 /   64.56
B min/max     (other non-hydrogen atoms) =   25.24 /   42.02

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   1.83 %   
C-beta deviations     =     0   
Clashscore            =   2.67   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.55   
MolProbity score      =   1.25   
Resolution            =   1.61   
R-work                =   0.1815   
R-free                =   0.2189   

Additional analysis:

Number of waters      =   330

<B> (all atoms) =   25.24 ( sd =    9.00 ) for       2789 non-hydrogen atoms
<B>   (protein) =   23.52 ( sd =    7.32 ) for       2440 non-hydrogen atoms
<B>     (water) =   37.07 ( sd =   10.48 ) for        330 non-hydrogen atoms
<B>    (others) =   34.08 ( sd =   11.08 ) for         19 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.99 /   76.79
B min/max   (protein non-hydrogen atoms) =   13.99 /   63.79
B min/max     (water non-hydrogen atoms) =   14.95 /   76.79
B min/max     (other non-hydrogen atoms) =   27.50 /   44.03

Refinement progression:

Results: