Optimised PDB entry 4ixc



Structure
SpacegroupP 41
Cell dimensionsa: 77.628 Åb: 77.628 Åc: 85.824 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 31483Test set: 1613 (5.1%)
Resolution range22.16 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18600.18640.18930.1904
R-free0.24900.24780.23870.2393
σR-free 0.00620.00590.0060
Z(R-free) -2.50-0.47-0.33

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1660.3190.374
2nd generation packing quality1-0.821-0.695-0.736
Ramachandran plot appearance1-1.298-0.413-0.525
Chi-1/Chi-2 rotamer normality1-3.515-2.511-1.979
Backbone conformation1-0.970-0.866-0.854
Bond length RMS Z-score20.8350.5420.538
Bond angle RMS Z-score20.9340.7610.745
Total number of bumps3362117
Unsatisfied H-bond donors/acceptors3172424
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 residues3
Significantly deteriorated residues3
Changes of all residuesPlot

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