Optimised PDB entry 4jsr



Structure
SpacegroupP 65
Cell dimensionsa: 119.320 Åb: 119.320 Åc: 44.530 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 40014Test set: 2006 (5.0%)
Resolution range35.69 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19800.18840.16650.1684
R-free0.22800.20640.18710.1865
σR-free 0.00460.00420.0042
Z(R-free) 2.481.291.95

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.605-0.564-0.543
2nd generation packing quality1-1.489-1.378-1.307
Ramachandran plot appearance1-1.095-0.604-0.416
Chi-1/Chi-2 rotamer normality1-0.6100.2290.393
Backbone conformation1-0.457-0.360-0.320
Bond length RMS Z-score21.2770.8340.819
Bond angle RMS Z-score21.2210.9470.928
Total number of bumps32944
Unsatisfied H-bond donors/acceptors3698
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 residues71
Significantly deteriorated residues0
Changes of all residuesPlot

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