Covid19Pdb5RE4

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 =  95.70 %   
Rotamer outliers      =   1.89 %   
C-beta deviations     =     0   
Clashscore            =   5.92   
RMS(bonds)            =   0.0131   
RMS(angles)           =   1.84   
MolProbity score      =   1.83   
Resolution            =   1.88   
R-work                =   0.1990   
R-free                =   0.2660   

Additional analysis:

Number of waters      =   335

<B> (all atoms) =   28.10 ( sd =    9.39 ) for       2728 non-hydrogen atoms
<B>   (protein) =   26.97 ( sd =    8.70 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.67 ( sd =   10.11 ) for        335 non-hydrogen atoms
<B>    (others) =   33.17 ( sd =   14.01 ) for         23 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   14.29 /   92.56
B min/max   (protein non-hydrogen atoms) =   15.16 /   74.92
B min/max     (water non-hydrogen atoms) =   14.29 /   92.56
B min/max     (other non-hydrogen atoms) =   22.93 /   51.69

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  96.69 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     1   
Clashscore            =   4.44   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.57   
MolProbity score      =   1.47   
Resolution            =   1.88   
R-work                =   0.1758   
R-free                =   0.2259   

Additional analysis:

Number of waters      =   293

<B> (all atoms) =   29.66 ( sd =    7.97 ) for       2686 non-hydrogen atoms
<B>   (protein) =   28.59 ( sd =    7.02 ) for       2370 non-hydrogen atoms
<B>     (water) =   37.75 ( sd =    9.29 ) for        293 non-hydrogen atoms
<B>    (others) =   37.24 ( sd =   16.46 ) for         23 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   16.41 /   71.00
B min/max   (protein non-hydrogen atoms) =   17.48 /   65.01
B min/max     (water non-hydrogen atoms) =   16.41 /   71.00
B min/max     (other non-hydrogen atoms) =   23.30 /   54.41

Refinement progression:

Results: