Optimised PDB entry 4i4h



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 77.760 Åb: 100.060 Åc: 131.400 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.90 Å

Experimental data
ReflectionsAll: 11327Test set: 534 (4.7%)
Resolution range65.70 Å2.90 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19500.20260.20260.2314
R-free0.26900.26590.26590.3002
σR-free 0.0115NA0.0130
Z(R-free) -1.98NA-1.73

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.034-1.033-0.754
2nd generation packing quality1-1.844-1.843-1.479
Ramachandran plot appearance1-5.816-5.822-4.416
Chi-1/Chi-2 rotamer normality1-7.124-7.125-5.255
Backbone conformation1-1.909-1.909-1.828
Bond length RMS Z-score20.5460.5450.538
Bond angle RMS Z-score20.6910.6910.731
Total number of bumps3949435
Unsatisfied H-bond donors/acceptors3414148
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 residues2
Significantly deteriorated residues56
Changes of all residuesPlot

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