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
R0.21500.23810.20020.1958
R-free0.28200.22220.21550.2170
σR-free 0.00640.00620.0062
Z(R-free) 10.954.893.77

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.068-0.913-0.695
2nd generation packing quality1-0.0380.0720.713
Ramachandran plot appearance1-2.344-0.402-0.337
Chi-1/Chi-2 rotamer normality1-2.723-1.571-1.195
Backbone conformation1-0.506-0.349-0.289
Bond length RMS Z-score20.4320.7270.699
Bond angle RMS Z-score20.7390.9060.878
Total number of bumps3561813
Unsatisfied H-bond donors/acceptors3211819
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 residues109
Significantly deteriorated residues0
Changes of all residuesPlot

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