Optimised PDB entry 1efn



Warnings!

Structure
SpacegroupP 65 2 2
Cell dimensionsa: 107.800 Åb: 107.800 Åc: 229.100 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 25370Test set: 0 (0.0%)
Resolution range19.91 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21500.23680.19830.1930
R-free0.28200.23860.22020.2111
σR-free 0.00680.00620.0060
Z(R-free) 7.683.764.32

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.068-0.817-0.495
2nd generation packing quality10.0890.4781.080
Ramachandran plot appearance1-3.443-0.754-0.561
Chi-1/Chi-2 rotamer normality1-4.095-2.384-1.946
Backbone conformation1-1.085-0.895-0.993
Bond length RMS Z-score20.4320.5630.544
Bond angle RMS Z-score20.7390.8020.772
Total number of bumps3491611
Unsatisfied H-bond donors/acceptors3211817
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues125
Significantly deteriorated residues0
Changes of all residuesPlot

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