Optimised PDB entry 3bpt



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 44.096 Åb: 76.642 Åc: 55.789 Å
α: 90.00°β: 108.24°γ: 90.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 46946Test set: 2334 (5.0%)
Resolution range28.77 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.14700.14620.14620.1642
R-free0.19700.19310.19310.2048
σR-free 0.0040NA0.0042
Z(R-free) -5.32NA-2.83

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.502-0.504-0.435
2nd generation packing quality1-2.439-2.441-2.204
Ramachandran plot appearance1-0.648-0.642-0.665
Chi-1/Chi-2 rotamer normality1-0.549-0.551-0.673
Backbone conformation1-1.624-1.625-1.581
Bond length RMS Z-score20.7490.7500.675
Bond angle RMS Z-score20.7870.7870.822
Total number of bumps3181811
Unsatisfied H-bond donors/acceptors3262217
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 residues0
Significantly deteriorated residues82
Changes of all residuesPlot

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