Covid19Pdb6W4B

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  94.12 %   
Rotamer outliers      =   4.57 %   
C-beta deviations     =     0   
Clashscore            =   8.64   
RMS(bonds)            =   0.0039   
RMS(angles)           =   1.03   
MolProbity score      =   2.36   
Resolution            =   2.95   
R-work                =   0.2400   
R-free                =   0.2760   

Additional analysis:

Number of waters      =     0

<B> (all atoms) =  123.76 ( sd =   34.10 ) for       1685 non-hydrogen atoms
<B>   (protein) =  123.76 ( sd =   34.10 ) for       1685 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) =   58.52 /  280.67
B min/max   (protein non-hydrogen atoms) =   58.52 /  280.67
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 =   0.00 %   
              favored =  91.40 %   
Rotamer outliers      =  17.14 %   
C-beta deviations     =     0   
Clashscore            =   2.09   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.53   
MolProbity score      =   2.42   
Resolution            =   2.95   
R-work                =   0.2360   
R-free                =   0.2771   

Additional analysis:

Number of waters      =     8

<B> (all atoms) =  125.59 ( sd =   19.76 ) for       1693 non-hydrogen atoms
<B>   (protein) =  125.80 ( sd =   19.56 ) for       1685 non-hydrogen atoms
<B>     (water) =   82.41 ( sd =   13.17 ) for          8 non-hydrogen atoms
<B>    (others) =    0.00 ( sd =    0.00 ) for          0 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   62.62 /  174.56
B min/max   (protein non-hydrogen atoms) =   79.92 /  174.56
B min/max     (water non-hydrogen atoms) =   62.62 /  100.36
B min/max     (other non-hydrogen atoms) =    0.00 /    0.00

Refinement progression:

Results: