Covid19Pdb5RFB

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 =  98.01 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   5.29   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.84   
MolProbity score      =   1.42   
Resolution            =   1.48   
R-work                =   0.1830   
R-free                =   0.2240   

Additional analysis:

Number of waters      =   332

<B> (all atoms) =   24.18 ( sd =    9.58 ) for       2724 non-hydrogen atoms
<B>   (protein) =   22.64 ( sd =    8.59 ) for       2370 non-hydrogen atoms
<B>     (water) =   34.86 ( sd =    9.36 ) for        332 non-hydrogen atoms
<B>    (others) =   27.41 ( sd =   10.26 ) for         22 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.94 /   71.05
B min/max   (protein non-hydrogen atoms) =   11.94 /   64.56
B min/max     (water non-hydrogen atoms) =   13.12 /   71.05
B min/max     (other non-hydrogen atoms) =   20.44 /   34.65

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.68 %   
Rotamer outliers      =   1.89 %   
C-beta deviations     =     0   
Clashscore            =   2.54   
RMS(bonds)            =   0.0113   
RMS(angles)           =   1.57   
MolProbity score      =   1.25   
Resolution            =   1.48   
R-work                =   0.1800   
R-free                =   0.2171   

Additional analysis:

Number of waters      =   334

<B> (all atoms) =   25.30 ( sd =    8.97 ) for       2726 non-hydrogen atoms
<B>   (protein) =   23.59 ( sd =    7.45 ) for       2370 non-hydrogen atoms
<B>     (water) =   37.05 ( sd =    9.81 ) for        334 non-hydrogen atoms
<B>    (others) =   30.21 ( sd =   10.14 ) for         22 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   13.72 /   64.12
B min/max   (protein non-hydrogen atoms) =   13.72 /   64.12
B min/max     (water non-hydrogen atoms) =   14.89 /   63.55
B min/max     (other non-hydrogen atoms) =   25.50 /   34.58

Refinement progression:

Results: