Content:

• See also
• Deposited
• (Re-)refinement

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See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

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Deposited

Date deposited	Date data collection	Resolution	R, Rfree
20200315	20200305	2.32	0.2120 0.3070

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  95.36 %   
Rotamer outliers      =   2.56 %   
C-beta deviations     =     0   
Clashscore            =   3.07   
RMS(bonds)            =   0.0130   
RMS(angles)           =   1.71   
MolProbity score      =   1.73   
Resolution            =   2.32   
R-work                =   0.2120   
R-free                =   0.3070   

Additional analysis:

Number of waters      =   365

<B> (all atoms) =   33.08 ( sd =   12.27 ) for       2834 non-hydrogen atoms
<B>   (protein) =   33.33 ( sd =   12.04 ) for       2440 non-hydrogen atoms
<B>     (water) =   30.31 ( sd =   13.00 ) for        365 non-hydrogen atoms
<B>    (others) =   42.45 ( sd =   18.39 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    0.50 /  105.84
B min/max   (protein non-hydrogen atoms) =   16.15 /  105.84
B min/max     (water non-hydrogen atoms) =    0.50 /   82.52
B min/max     (other non-hydrogen atoms) =   26.54 /   96.47

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BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.00 %   
              favored =  96.36 %   
Rotamer outliers      =   2.93 %   
C-beta deviations     =     0   
Clashscore            =   7.17   
RMS(bonds)            =   0.0119   
RMS(angles)           =   1.61   
MolProbity score      =   1.99   
Resolution            =   2.32   
R-work                =   0.1769   
R-free                =   0.2673   

Additional analysis:

Number of waters      =   292

<B> (all atoms) =   34.25 ( sd =    9.67 ) for       2761 non-hydrogen atoms
<B>   (protein) =   34.43 ( sd =    8.88 ) for       2440 non-hydrogen atoms
<B>     (water) =   31.97 ( sd =   14.58 ) for        292 non-hydrogen atoms
<B>    (others) =   39.87 ( sd =   18.68 ) for         29 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =    3.00 /   74.19
B min/max   (protein non-hydrogen atoms) =   19.26 /   74.19
B min/max     (water non-hydrogen atoms) =    3.00 /   72.28
B min/max     (other non-hydrogen atoms) =   30.02 /   64.02

Refinement progression:

Results:

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