Optimised PDB entry 1i07



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 27.899 Åb: 28.517 Åc: 37.188 Å
α: 107.39°β: 96.87°γ: 104.56°
Resolution1.80 Å

Experimental data
ReflectionsAll: 9025Test set: 517 (5.7%)
Resolution range25.93 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.2020
R-free0.2330
σR-free 0.0000NA0.0000
Z(R-free) NA

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.465-1.465-1.270
2nd generation packing quality10.3810.3810.586
Ramachandran plot appearance10.1390.1390.405
Chi-1/Chi-2 rotamer normality1-2.449-2.449-1.271
Backbone conformation1-1.353-1.353-1.489
Bond length RMS Z-score20.3280.3280.525
Bond angle RMS Z-score20.6300.6300.789
Total number of bumps313136
Unsatisfied H-bond donors/acceptors3554
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 residues9
Significantly deteriorated residues0
Changes of all residuesPlot

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