Covid19Pdb6VXS

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:
    1.953         0.9688   0.2304  -0.0910       0.950 a* + 0.279 b* + 0.139 c*
    1.984        -0.2428   0.9561  -0.1642      -0.196 a* + 0.965 b* - 0.176 c*
    2.093         0.0492   0.1812   0.9822       0.023 a* + 0.105 b* + 0.994 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.48 %   
Rotamer outliers      =   2.52 %   
C-beta deviations     =     0   
Clashscore            =   1.16   
RMS(bonds)            =   0.0041   
RMS(angles)           =   0.97   
MolProbity score      =   1.13   
Resolution            =   2.03   
R-work                =   0.1860   
R-free                =   0.2340   

Additional analysis:

Number of waters      =   139

<B> (all atoms) =   24.57 ( sd =    9.77 ) for       2715 non-hydrogen atoms
<B>   (protein) =   23.84 ( sd =    9.10 ) for       2526 non-hydrogen atoms
<B>     (water) =   29.20 ( sd =    6.65 ) for        139 non-hydrogen atoms
<B>    (others) =   48.80 ( sd =   14.17 ) for         50 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   10.40 /   73.17
B min/max   (protein non-hydrogen atoms) =   10.40 /   66.02
B min/max     (water non-hydrogen atoms) =   17.54 /   46.87
B min/max     (other non-hydrogen atoms) =   34.07 /   73.17

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.48 %   
Rotamer outliers      =   1.44 %   
C-beta deviations     =     0   
Clashscore            =   2.90   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.49   
MolProbity score      =   1.20   
Resolution            =   2.03   
R-work                =   0.1892   
R-free                =   0.2288   

Additional analysis:

Number of waters      =   134

<B> (all atoms) =   22.47 ( sd =    8.21 ) for       2710 non-hydrogen atoms
<B>   (protein) =   21.70 ( sd =    7.54 ) for       2526 non-hydrogen atoms
<B>     (water) =   30.65 ( sd =    9.18 ) for        134 non-hydrogen atoms
<B>    (others) =   39.45 ( sd =    7.82 ) for         50 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.42 /   74.06
B min/max   (protein non-hydrogen atoms) =    9.42 /   58.70
B min/max     (water non-hydrogen atoms) =   14.99 /   74.06
B min/max     (other non-hydrogen atoms) =   31.30 /   54.67

Refinement progression:

Results: