Covid19Pdb5RF0

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:
    1.786         0.9989   0.0000  -0.0471       0.994 a* - 0.107 c*
    1.606         0.0000   1.0000   0.0000       b*
    1.611         0.0471   0.0000   0.9989       0.123 a* + 0.992 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.35 %   
Rotamer outliers      =   0.00 %   
C-beta deviations     =     1   
Clashscore            =   4.02   
RMS(bonds)            =   0.0132   
RMS(angles)           =   1.82   
MolProbity score      =   1.31   
Resolution            =   1.65   
R-work                =   0.1810   
R-free                =   0.2260   

Additional analysis:

Number of waters      =   337

<B> (all atoms) =   23.57 ( sd =   16.39 ) for       2732 non-hydrogen atoms
<B>   (protein) =   21.72 ( sd =    8.26 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.86 ( sd =   38.72 ) for        337 non-hydrogen atoms
<B>    (others) =   31.28 ( sd =    8.20 ) for         25 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.40 /  720.10
B min/max   (protein non-hydrogen atoms) =   11.40 /   67.87
B min/max     (water non-hydrogen atoms) =   12.19 /  720.10
B min/max     (other non-hydrogen atoms) =   23.58 /   41.86

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   2.32   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.55   
MolProbity score      =   1.01   
Resolution            =   1.65   
R-work                =   0.1786   
R-free                =   0.2180   

Additional analysis:

Number of waters      =   350

<B> (all atoms) =   24.41 ( sd =    9.04 ) for       2745 non-hydrogen atoms
<B>   (protein) =   22.48 ( sd =    7.13 ) for       2370 non-hydrogen atoms
<B>     (water) =   36.72 ( sd =   10.43 ) for        350 non-hydrogen atoms
<B>    (others) =   33.13 ( sd =    9.12 ) for         25 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    7.81 /   96.77
B min/max   (protein non-hydrogen atoms) =    7.81 /   61.62
B min/max     (water non-hydrogen atoms) =   13.19 /   96.77
B min/max     (other non-hydrogen atoms) =   25.38 /   43.45

Refinement progression:

Results: