Covid19Pdb2HOB

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:
    1.911         0.9497   0.0000   0.3131       0.999 a* + 0.034 c*
    1.916         0.0000   1.0000   0.0000       b*
    1.869        -0.3131   0.0000   0.9497      -0.539 a* + 0.843 c*

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.36 %   
Rotamer outliers      =   1.13 %   
C-beta deviations     =     0   
Clashscore            =   6.48   
RMS(bonds)            =   0.0152   
RMS(angles)           =   1.81   
MolProbity score      =   1.40   
Resolution            =   1.95   
R-work                =   0.2020   
R-free                =   0.2210   

Additional analysis:

Number of waters      =   308

<B> (all atoms) =   39.93 ( sd =    9.12 ) for       2728 non-hydrogen atoms
<B>   (protein) =   38.35 ( sd =    7.64 ) for       2391 non-hydrogen atoms
<B>     (water) =   49.54 ( sd =    9.43 ) for        308 non-hydrogen atoms
<B>    (others) =   68.48 ( sd =    9.20 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   23.27 /   82.17
B min/max   (protein non-hydrogen atoms) =   23.27 /   76.95
B min/max     (water non-hydrogen atoms) =   28.15 /   77.13
B min/max     (other non-hydrogen atoms) =   54.66 /   82.17

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  98.69 %   
Rotamer outliers      =   1.51 %   
C-beta deviations     =     0   
Clashscore            =   3.13   
RMS(bonds)            =   0.0118   
RMS(angles)           =   1.55   
MolProbity score      =   1.24   
Resolution            =   1.95   
R-work                =   0.1883   
R-free                =   0.2143   

Additional analysis:

Number of waters      =   320

<B> (all atoms) =   40.31 ( sd =    9.91 ) for       2740 non-hydrogen atoms
<B>   (protein) =   38.63 ( sd =    8.45 ) for       2391 non-hydrogen atoms
<B>     (water) =   51.87 ( sd =   11.75 ) for        320 non-hydrogen atoms
<B>    (others) =   51.46 ( sd =    6.54 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   23.45 /   93.65
B min/max   (protein non-hydrogen atoms) =   23.45 /   83.79
B min/max     (water non-hydrogen atoms) =   27.65 /   93.65
B min/max     (other non-hydrogen atoms) =   41.64 /   61.04

Refinement progression:

Results: