Covid19Pdb5RFP

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.66 %   
              favored =  95.70 %   
Rotamer outliers      =   1.89 %   
C-beta deviations     =     0   
Clashscore            =   6.96   
RMS(bonds)            =   0.0132   
RMS(angles)           =   1.82   
MolProbity score      =   1.89   
Resolution            =   2.03   
R-work                =   0.2070   
R-free                =   0.2970   

Additional analysis:

Number of waters      =   332

<B> (all atoms) =   29.05 ( sd =   11.08 ) for       2731 non-hydrogen atoms
<B>   (protein) =   28.35 ( sd =   10.63 ) for       2370 non-hydrogen atoms
<B>     (water) =   33.23 ( sd =   11.83 ) for        332 non-hydrogen atoms
<B>    (others) =   39.60 ( sd =   22.65 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.70 /  100.03
B min/max   (protein non-hydrogen atoms) =   14.87 /   91.86
B min/max     (water non-hydrogen atoms) =    9.70 /  100.03
B min/max     (other non-hydrogen atoms) =   22.34 /   77.52

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  96.03 %   
Rotamer outliers      =   2.65 %   
C-beta deviations     =     0   
Clashscore            =   3.16   
RMS(bonds)            =   0.0118   
RMS(angles)           =   1.63   
MolProbity score      =   1.70   
Resolution            =   2.03   
R-work                =   0.1825   
R-free                =   0.2738   

Additional analysis:

Number of waters      =   313

<B> (all atoms) =   28.63 ( sd =    8.47 ) for       2712 non-hydrogen atoms
<B>   (protein) =   27.85 ( sd =    7.48 ) for       2370 non-hydrogen atoms
<B>     (water) =   33.40 ( sd =   10.55 ) for        313 non-hydrogen atoms
<B>    (others) =   41.82 ( sd =   26.05 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    9.05 /  103.33
B min/max   (protein non-hydrogen atoms) =   15.82 /   64.97
B min/max     (water non-hydrogen atoms) =    9.05 /  103.33
B min/max     (other non-hydrogen atoms) =   23.90 /   86.94

Refinement progression:

Results: