Optimised PDB entry 4i5c



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 42.700 Åb: 173.969 Åc: 44.675 Å
α: 90.00°β: 94.11°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 37751Test set: 1775 (4.7%)
Resolution range38.25 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19000.20100.18510.1843
R-free0.24500.25690.22790.2275
σR-free 0.00610.00540.0054
Z(R-free) -0.251.351.24

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.974-0.840-0.868
2nd generation packing quality1-0.716-0.614-0.420
Ramachandran plot appearance1-1.714-1.178-1.055
Chi-1/Chi-2 rotamer normality1-4.162-2.390-2.086
Backbone conformation1-0.503-0.445-0.419
Bond length RMS Z-score20.6330.5910.599
Bond angle RMS Z-score20.8890.7650.759
Total number of bumps3272024
Unsatisfied H-bond donors/acceptors3222118
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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