Covid19Pdb5ZXV

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   2.02 %   
              favored =  92.33 %   
Rotamer outliers      =   4.17 %   
C-beta deviations     =     0   
Clashscore            =  16.74   
RMS(bonds)            =   0.0063   
RMS(angles)           =   1.23   
MolProbity score      =   2.67   
Resolution            =   4.48   
R-work                =   0.3070   
R-free                =   0.3430   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =  308.02 ( sd =   77.23 ) for       9462 non-hydrogen atoms
<B>   (protein) =  308.02 ( sd =   77.23 ) for       9462 non-hydrogen atoms
<B>     (water) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =  178.20 /  615.33
B min/max   (protein non-hydrogen atoms) =  178.20 /  615.33
B min/max     (water non-hydrogen atoms) =    0.00 /    0.00
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   5.17 %   
              favored =  77.30 %   
Rotamer outliers      =  12.71 %   
C-beta deviations     =     1   
Clashscore            =  17.98   
RMS(bonds)            =   0.0122   
RMS(angles)           =   1.73   
MolProbity score      =   3.36   
Resolution            =   4.48   
R-work                =   0.2175   
R-free                =   0.2931   

Additional analysis:

Number of waters      =     5

<B> (all atoms) =  258.05 ( sd =   43.85 ) for       9467 non-hydrogen atoms
<B>   (protein) =  258.05 ( sd =   43.86 ) for       9462 non-hydrogen atoms
<B>     (water) =  258.76 ( sd =    0.12 ) for          5 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =  128.34 /  300.00
B min/max   (protein non-hydrogen atoms) =  128.34 /  300.00
B min/max     (water non-hydrogen atoms) =  258.58 /  258.94
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: