Covid19Pdb6LVN

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:
    2.333         1.0000   0.0000   0.0000       a*
    2.382         0.0000   1.0000   0.0000       b*
    2.429         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  99.22 %   
Rotamer outliers      =   0.00 %   
C-beta deviations     =     0   
Clashscore            =   3.75   
RMS(bonds)            =   0.0059   
RMS(angles)           =   1.03   
MolProbity score      =   1.16   
Resolution            =   2.47   
R-work                =   0.2150   
R-free                =   0.2580   

Additional analysis:

Number of waters      =    22

<B> (all atoms) =   38.51 ( sd =   14.58 ) for       1078 non-hydrogen atoms
<B>   (protein) =   38.48 ( sd =   14.69 ) for       1056 non-hydrogen atoms
<B>     (water) =   40.20 ( sd =    7.55 ) for         22 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   17.49 /   99.12
B min/max   (protein non-hydrogen atoms) =   17.49 /   99.12
B min/max     (water non-hydrogen atoms) =   23.74 /   51.92
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored = 100.00 %   
Rotamer outliers      =   6.45 %   
C-beta deviations     =     0   
Clashscore            =   1.40   
RMS(bonds)            =   0.0116   
RMS(angles)           =   1.26   
MolProbity score      =   1.49   
Resolution            =   2.47   
R-work                =   0.2225   
R-free                =   0.2791   

Additional analysis:

Number of waters      =    47

<B> (all atoms) =   39.05 ( sd =   10.76 ) for       1103 non-hydrogen atoms
<B>   (protein) =   38.95 ( sd =   10.81 ) for       1056 non-hydrogen atoms
<B>     (water) =   41.37 ( sd =    9.02 ) for         47 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   21.88 /   81.41
B min/max   (protein non-hydrogen atoms) =   21.88 /   81.41
B min/max     (water non-hydrogen atoms) =   26.28 /   63.03
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: