Optimised PDB entry 4g0v



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 80.546 Åb: 176.610 Åc: 93.759 Å
α: 90.00°β: 111.53°γ: 90.00°
Resolution2.55 Å

Experimental data
ReflectionsAll: 78798Test set: 3957 (5.0%)
Resolution range27.94 Å2.55 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.16100.17010.16530.1698
R-free0.20600.20900.19240.1979
σR-free 0.00330.00310.0031
Z(R-free) 4.187.777.90

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.0090.0500.006
2nd generation packing quality1-0.1300.0760.047
Ramachandran plot appearance1-1.505-0.718-0.632
Chi-1/Chi-2 rotamer normality1-2.742-1.700-1.547
Backbone conformation1-0.720-0.693-0.762
Bond length RMS Z-score20.4110.5280.448
Bond angle RMS Z-score20.7010.7570.697
Total number of bumps31178086
Unsatisfied H-bond donors/acceptors3686466
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 residues30
Significantly deteriorated residues38
Changes of all residuesPlot

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