Covid19Pdb2ALV

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:
    1.867         1.0000   0.0000   0.0000       0.992 a* - 0.124 c*
    1.853         0.0000   1.0000   0.0000       b*
    1.822         0.0000   0.0000   1.0000       c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   1.67 %   
              favored =  94.00 %   
Rotamer outliers      =   4.14 %   
C-beta deviations     =     3   
Clashscore            =  20.57   
RMS(bonds)            =   0.0181   
RMS(angles)           =   2.04   
MolProbity score      =   2.68   
Resolution            =   1.90   
R-work                =   0.2550   
R-free                =   0.3150   

Additional analysis:

Number of waters      =   150

<B> (all atoms) =   51.09 ( sd =   14.80 ) for       2576 non-hydrogen atoms
<B>   (protein) =   50.93 ( sd =   15.01 ) for       2386 non-hydrogen atoms
<B>     (water) =   50.34 ( sd =    9.36 ) for        150 non-hydrogen atoms
<B>    (others) =   63.21 ( sd =   13.48 ) for         40 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   21.71 /   99.38
B min/max   (protein non-hydrogen atoms) =   22.28 /   99.38
B min/max     (water non-hydrogen atoms) =   21.71 /   75.35
B min/max     (other non-hydrogen atoms) =   43.90 /   85.43

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  96.67 %   
Rotamer outliers      =   2.26 %   
C-beta deviations     =     0   
Clashscore            =   2.70   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.56   
MolProbity score      =   1.54   
Resolution            =   1.89   
R-work                =   0.2068   
R-free                =   0.2390   

Additional analysis:

Number of waters      =   213

<B> (all atoms) =   56.88 ( sd =   17.59 ) for       2639 non-hydrogen atoms
<B>   (protein) =   56.55 ( sd =   18.00 ) for       2386 non-hydrogen atoms
<B>     (water) =   60.19 ( sd =   13.22 ) for        213 non-hydrogen atoms
<B>    (others) =   58.80 ( sd =    9.75 ) for         40 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   30.45 /  113.84
B min/max   (protein non-hydrogen atoms) =   30.45 /  113.84
B min/max     (water non-hydrogen atoms) =   32.05 /  104.60
B min/max     (other non-hydrogen atoms) =   44.75 /   74.96

Refinement progression:

Results: