Optimised PDB entry 1sje



Warnings!

Structure
SpacegroupH 3
Cell dimensionsa: 172.746 Åb: 172.746 Åc: 121.399 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.45 Å

Experimental data
ReflectionsAll: 49701Test set: 4984 (10.0%)
Resolution range19.82 Å2.45 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19600.19670.17130.1691
R-free0.22300.21820.19730.1954
σR-free 0.00310.00280.0028
Z(R-free) 7.975.074.79

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.234-0.329-0.274
2nd generation packing quality1-1.475-1.320-1.239
Ramachandran plot appearance1-1.860-0.328-0.333
Chi-1/Chi-2 rotamer normality1-2.607-2.476-1.762
Backbone conformation1-0.076-0.073-0.008
Bond length RMS Z-score20.3000.5130.502
Bond angle RMS Z-score20.6230.7490.721
Total number of bumps3772123
Unsatisfied H-bond donors/acceptors3292622
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 residues210
Significantly deteriorated residues0
Changes of all residuesPlot

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