Covid19Pdb5RFD

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      =   0.00 %   
C-beta deviations     =     1   
Clashscore            =   3.80   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.84   
MolProbity score      =   1.24   
Resolution            =   1.41   
R-work                =   0.1780   
R-free                =   0.2110   

Additional analysis:

Number of waters      =   332

<B> (all atoms) =   20.59 ( sd =    8.56 ) for       2728 non-hydrogen atoms
<B>   (protein) =   19.00 ( sd =    7.33 ) for       2370 non-hydrogen atoms
<B>     (water) =   31.46 ( sd =    8.59 ) for        332 non-hydrogen atoms
<B>    (others) =   27.13 ( sd =   11.20 ) for         26 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.50 /   59.91
B min/max   (protein non-hydrogen atoms) =    9.50 /   59.91
B min/max     (water non-hydrogen atoms) =   11.70 /   58.36
B min/max     (other non-hydrogen atoms) =   20.43 /   34.67

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   0.38 %   
C-beta deviations     =     0   
Clashscore            =   1.90   
RMS(bonds)            =   0.0112   
RMS(angles)           =   1.57   
MolProbity score      =   0.95   
Resolution            =   1.41   
R-work                =   0.1804   
R-free                =   0.2114   

Additional analysis:

Number of waters      =   329

<B> (all atoms) =   22.55 ( sd =    8.66 ) for       2725 non-hydrogen atoms
<B>   (protein) =   20.79 ( sd =    6.78 ) for       2370 non-hydrogen atoms
<B>     (water) =   34.82 ( sd =   10.36 ) for        329 non-hydrogen atoms
<B>    (others) =   28.10 ( sd =   11.25 ) for         26 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.80 /   94.05
B min/max   (protein non-hydrogen atoms) =   11.80 /   57.18
B min/max     (water non-hydrogen atoms) =   13.96 /   94.05
B min/max     (other non-hydrogen atoms) =   23.47 /   33.38

Refinement progression:

Results: