Covid19Pdb5R7Y

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:
    2.003         0.9961   0.0000  -0.0882       0.993 a* - 0.120 c*
    1.721         0.0000   1.0000   0.0000       b*
    1.692         0.0882   0.0000   0.9961       0.229 a* + 0.973 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  99.01 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     1   
Clashscore            =   6.77   
RMS(bonds)            =   0.0145   
RMS(angles)           =   1.85   
MolProbity score      =   1.42   
Resolution            =   1.65   
R-work                =   0.1790   
R-free                =   0.2370   

Additional analysis:

Number of waters      =   386

<B> (all atoms) =   24.18 ( sd =    8.22 ) for       2779 non-hydrogen atoms
<B>   (protein) =   23.54 ( sd =    7.27 ) for       2363 non-hydrogen atoms
<B>     (water) =   29.32 ( sd =   15.44 ) for        386 non-hydrogen atoms
<B>    (others) =   44.00 ( sd =   23.65 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    3.24 /   73.76
B min/max   (protein non-hydrogen atoms) =   12.82 /   65.02
B min/max     (water non-hydrogen atoms) =    3.24 /   73.76
B min/max     (other non-hydrogen atoms) =   23.00 /   69.32

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   3.39   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.56   
MolProbity score      =   1.13   
Resolution            =   1.65   
R-work                =   0.1957   
R-free                =   0.2386   

Additional analysis:

Number of waters      =   341

<B> (all atoms) =   25.29 ( sd =    8.39 ) for       2734 non-hydrogen atoms
<B>   (protein) =   24.74 ( sd =    7.11 ) for       2363 non-hydrogen atoms
<B>     (water) =   30.71 ( sd =   17.88 ) for        341 non-hydrogen atoms
<B>    (others) =   33.12 ( sd =   14.04 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    5.41 /  134.59
B min/max   (protein non-hydrogen atoms) =   14.68 /   62.60
B min/max     (water non-hydrogen atoms) =    5.41 /  134.59
B min/max     (other non-hydrogen atoms) =   18.03 /   41.16

Refinement progression:

Results: