Content:

• See also
• Deposited
• (Re-)refinement

---

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

    Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:
    1.613         0.9325   0.0000  -0.3612       0.973 a* - 0.232 c*
    1.479         0.0000   1.0000   0.0000       b*
    1.439         0.3612   0.0000   0.9325       0.741 a* + 0.671 c*

---

Deposited

Date deposited	Date data collection	Resolution	R, Rfree
20200315	20200305	1.45	0.1810 0.2170

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   4.22   
RMS(bonds)            =   0.0134   
RMS(angles)           =   1.84   
MolProbity score      =   1.34   
Resolution            =   1.45   
R-work                =   0.1810   
R-free                =   0.2170   

Additional analysis:

Number of waters      =   330

<B> (all atoms) =   22.68 ( sd =    8.92 ) for       2731 non-hydrogen atoms
<B>   (protein) =   21.12 ( sd =    7.73 ) for       2370 non-hydrogen atoms
<B>     (water) =   33.36 ( sd =    9.27 ) for        330 non-hydrogen atoms
<B>    (others) =   28.05 ( sd =   11.48 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.28 /   66.54
B min/max   (protein non-hydrogen atoms) =   11.28 /   66.54
B min/max     (water non-hydrogen atoms) =   13.16 /   63.11
B min/max     (other non-hydrogen atoms) =   23.23 /   37.95

---

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  99.01 %   
Rotamer outliers      =   1.52 %   
C-beta deviations     =     0   
Clashscore            =   2.74   
RMS(bonds)            =   0.0114   
RMS(angles)           =   1.57   
MolProbity score      =   1.20   
Resolution            =   1.45   
R-work                =   0.1819   
R-free                =   0.2097   

Additional analysis:

Number of waters      =   332

<B> (all atoms) =   24.06 ( sd =    8.73 ) for       2733 non-hydrogen atoms
<B>   (protein) =   22.31 ( sd =    6.91 ) for       2370 non-hydrogen atoms
<B>     (water) =   36.08 ( sd =   10.33 ) for        332 non-hydrogen atoms
<B>    (others) =   29.10 ( sd =   12.31 ) for         31 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    8.76 /   77.03
B min/max   (protein non-hydrogen atoms) =    8.76 /   59.38
B min/max     (water non-hydrogen atoms) =   13.94 /   77.03
B min/max     (other non-hydrogen atoms) =   22.53 /   39.80

Refinement progression:

Results:

File	Remark
5RF6_aB_refine.01_03_refine.pdb.gz	exact refinement commands are in header
5RF6_aB_refine.01_03_refine.mtz.gz	including original deposited data and several re-refinement map coefficients
5RF6_aB_refine.01_03_BUSTER_model.cif.gz	including any non-standard compound restraints
5RF6_aB_refine.01_03_BUSTER_refln.cif.gz