Covid19Pdb5RFJ

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.68 %   
Rotamer outliers      =   2.22 %   
C-beta deviations     =     0   
Clashscore            =   5.18   
RMS(bonds)            =   0.0130   
RMS(angles)           =   1.81   
MolProbity score      =   1.61   
Resolution            =   1.80   
R-work                =   0.1860   
R-free                =   0.2410   

Additional analysis:

Number of waters      =   344

<B> (all atoms) =   24.42 ( sd =    9.21 ) for       2787 non-hydrogen atoms
<B>   (protein) =   23.07 ( sd =    8.35 ) for       2416 non-hydrogen atoms
<B>     (water) =   33.62 ( sd =   10.06 ) for        344 non-hydrogen atoms
<B>    (others) =   30.25 ( sd =    9.89 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.74 /   74.27
B min/max   (protein non-hydrogen atoms) =   12.25 /   74.27
B min/max     (water non-hydrogen atoms) =   11.74 /   70.57
B min/max     (other non-hydrogen atoms) =   22.07 /   45.24

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  97.68 %   
Rotamer outliers      =   1.11 %   
C-beta deviations     =     0   
Clashscore            =   1.87   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.57   
MolProbity score      =   1.05   
Resolution            =   1.80   
R-work                =   0.1779   
R-free                =   0.2314   

Additional analysis:

Number of waters      =   325

<B> (all atoms) =   25.67 ( sd =    8.43 ) for       2768 non-hydrogen atoms
<B>   (protein) =   24.25 ( sd =    7.18 ) for       2416 non-hydrogen atoms
<B>     (water) =   35.86 ( sd =    9.96 ) for        325 non-hydrogen atoms
<B>    (others) =   31.28 ( sd =    9.45 ) for         27 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.08 /   62.64
B min/max   (protein non-hydrogen atoms) =   13.52 /   60.30
B min/max     (water non-hydrogen atoms) =   11.08 /   62.64
B min/max     (other non-hydrogen atoms) =   24.16 /   43.64

Refinement progression:

Results: