Covid19Pdb5RFV

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 =  98.68 %   
Rotamer outliers      =   0.00 %   
C-beta deviations     =     0   
Clashscore            =   4.22   
RMS(bonds)            =   0.0133   
RMS(angles)           =   1.84   
MolProbity score      =   1.20   
Resolution            =   1.48   
R-work                =   0.1870   
R-free                =   0.2240   

Additional analysis:

Number of waters      =   335

<B> (all atoms) =   22.50 ( sd =    8.96 ) for       2733 non-hydrogen atoms
<B>   (protein) =   20.95 ( sd =    7.88 ) for       2370 non-hydrogen atoms
<B>     (water) =   32.58 ( sd =    9.29 ) for        335 non-hydrogen atoms
<B>    (others) =   33.95 ( sd =    9.20 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.04 /   69.44
B min/max   (protein non-hydrogen atoms) =   11.04 /   69.01
B min/max     (water non-hydrogen atoms) =   13.19 /   69.44
B min/max     (other non-hydrogen atoms) =   23.95 /   47.01

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  99.01 %   
Rotamer outliers      =   0.76 %   
C-beta deviations     =     0   
Clashscore            =   1.69   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.57   
MolProbity score      =   0.92   
Resolution            =   1.48   
R-work                =   0.1792   
R-free                =   0.2135   

Additional analysis:

Number of waters      =   348

<B> (all atoms) =   23.82 ( sd =    8.35 ) for       2746 non-hydrogen atoms
<B>   (protein) =   22.07 ( sd =    6.75 ) for       2370 non-hydrogen atoms
<B>     (water) =   35.01 ( sd =    9.24 ) for        348 non-hydrogen atoms
<B>    (others) =   32.31 ( sd =    9.19 ) for         28 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   12.34 /   61.79
B min/max   (protein non-hydrogen atoms) =   12.34 /   61.79
B min/max     (water non-hydrogen atoms) =   15.40 /   59.67
B min/max     (other non-hydrogen atoms) =   24.08 /   40.48

Refinement progression:

Results: