Optimised PDB entry 1i07



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
R0.20200.21450.21870.2283
R-free0.23300.25500.23950.2470
σR-free 0.01080.01010.0104
Z(R-free) 1.143.283.61

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.465-1.412-1.327
2nd generation packing quality10.3810.6350.635
Ramachandran plot appearance10.1390.4400.737
Chi-1/Chi-2 rotamer normality1-2.449-1.556-1.045
Backbone conformation1-1.353-1.292-1.220
Bond length RMS Z-score20.3280.3870.404
Bond angle RMS Z-score20.6300.6390.661
Total number of bumps31345
Unsatisfied H-bond donors/acceptors3577
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 residues18
Significantly deteriorated residues0
Changes of all residuesPlot

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