Covid19Pdb5RFY

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 =  96.03 %   
Rotamer outliers      =   1.14 %   
C-beta deviations     =     0   
Clashscore            =   5.49   
RMS(bonds)            =   0.0129   
RMS(angles)           =   1.76   
MolProbity score      =   1.61   
Resolution            =   1.90   
R-work                =   0.2100   
R-free                =   0.2770   

Additional analysis:

Number of waters      =   341

<B> (all atoms) =   29.86 ( sd =    9.78 ) for       2739 non-hydrogen atoms
<B>   (protein) =   28.89 ( sd =    9.28 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.65 ( sd =   10.62 ) for        341 non-hydrogen atoms
<B>    (others) =   41.90 ( sd =   10.93 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.51 /   82.90
B min/max   (protein non-hydrogen atoms) =   15.04 /   82.90
B min/max     (water non-hydrogen atoms) =   12.51 /   73.02
B min/max     (other non-hydrogen atoms) =   27.57 /   56.17

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  96.36 %   
Rotamer outliers      =   1.89 %   
C-beta deviations     =     0   
Clashscore            =   3.17   
RMS(bonds)            =   0.0117   
RMS(angles)           =   1.58   
MolProbity score      =   1.56   
Resolution            =   1.90   
R-work                =   0.1727   
R-free                =   0.2359   

Additional analysis:

Number of waters      =   307

<B> (all atoms) =   33.80 ( sd =    8.25 ) for       2705 non-hydrogen atoms
<B>   (protein) =   32.83 ( sd =    7.52 ) for       2370 non-hydrogen atoms
<B>     (water) =   40.30 ( sd =    9.80 ) for        307 non-hydrogen atoms
<B>    (others) =   44.32 ( sd =   12.32 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   22.22 /   76.12
B min/max   (protein non-hydrogen atoms) =   22.34 /   68.31
B min/max     (water non-hydrogen atoms) =   22.22 /   76.12
B min/max     (other non-hydrogen atoms) =   31.46 /   59.12

Refinement progression:

Results: